data_2ljy_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 2ljy _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' OE1' ' A' ' 18' ' ' GLU . 37.2 Cg_exo . . . . . 0 N--CA 1.463 -0.296 0 CA-C-O 121.473 0.53 . . . . 15.0 112.91 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -95.33 1.69 54.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.366 -0.834 . . . . 15.0 109.894 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -117.91 139.56 50.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.674 -0.694 . . . . 15.0 110.742 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.445 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 25.2 tp -54.7 -54.38 49.83 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 112.863 0.69 . . . . 15.0 112.863 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 12.3 Cg_endo -56.02 -44.54 46.06 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.05 1.833 . . . . 15.0 112.638 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -68.79 -33.92 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 15.0 111.126 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.4 tp -60.66 -38.28 84.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.193 0.521 . . . . 15.0 109.695 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.447 ' SG ' HG22 ' A' ' 26' ' ' ILE . 21.0 m -70.15 -33.27 71.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.455 -0.793 . . . . 15.0 110.359 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -64.68 -47.5 78.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.288 -0.415 . . . . 15.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.453 ' OE1' ' HD3' ' A' ' 9' ' ' PRO . 8.7 mt-10 -68.79 -31.46 70.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.412 -0.358 . . . . 15.0 110.99 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.23 -2.26 44.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 15.0 110.723 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 58.44 44.27 18.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.913 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.4 t -145.65 -174.41 4.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -111.95 166.56 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.447 -0.342 . . . . 15.0 110.469 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.1 mt -70.4 -13.8 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 15.0 110.093 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -87.22 -13.42 43.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 15.0 111.023 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -108.84 -38.39 5.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.857 0.317 . . . . 15.0 111.857 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.447 HG22 ' SG ' ' A' ' 16' ' ' CYS . 15.5 tt -66.63 126.05 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.357 0.599 . . . . 15.0 111.363 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.0 mm -113.42 122.03 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.991 -0.549 . . . . 15.0 109.657 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -102.35 159.95 14.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.756 0.312 . . . . 15.0 110.454 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -113.7 156.57 23.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.203 -0.453 . . . . 15.0 109.981 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.595 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 53.9 t -72.34 144.8 48.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.209 0.528 . . . . 15.0 110.625 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 p -82.18 -23.93 9.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.867 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -95.25 -61.33 1.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.627 0.603 . . . . 15.0 112.627 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.43 -10.51 43.53 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.801 -0.359 . . . . 15.0 111.656 -179.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 5.1 mptt 61.78 32.7 18.13 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.006 -0.543 . . . . 15.0 111.606 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.418 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 34.7 mm-40 -89.35 152.55 21.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.627 -0.508 . . . . 15.0 109.627 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -76.52 125.24 28.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.045 -0.354 . . . . 15.0 110.045 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mp -82.34 120.48 25.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.751 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -61.07 134.85 57.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.221 -0.659 . . . . 15.0 109.221 178.607 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -48.09 -39.04 19.08 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.405 0.44 . . . . 15.0 112.071 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -58.8 -39.99 82.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.05 0.452 . . . . 15.0 111.202 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -83.48 -22.4 32.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.845 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 38' ' ' LEU . 69.9 t -61.69 -33.67 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.142 0.496 . . . . 15.0 110.086 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -64.4 -23.65 67.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -67.01 -23.7 65.95 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.968 0.413 . . . . 15.0 110.194 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.77 -39.79 95.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.701 -0.682 . . . . 15.0 109.872 178.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.85 -28.94 24.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.346 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -67.23 -43.43 82.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.628 -0.715 . . . . 15.0 110.338 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -103.07 -173.95 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.043 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -95.82 95.61 8.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 15.0 110.546 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.31 142.1 33.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.405 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.6 p -108.59 156.86 19.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.108 -0.496 . . . . 15.0 109.891 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.4 mt -79.45 122.85 35.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.043 0.449 . . . . 15.0 110.256 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.1 t -91.07 120.29 39.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.623 -0.717 . . . . 15.0 109.983 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.04 109.11 20.88 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.945 0.402 . . . . 15.0 110.298 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -92.69 114.28 26.79 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.237 -0.653 . . . . 15.0 109.237 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.2 t70 70.99 -68.02 0.23 Allowed 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.989 0.806 . . . . 15.0 111.05 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.8 23.12 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.234 -0.507 . . . . 15.0 112.307 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -132.46 147.68 66.61 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.193 -0.299 . . . . 15.0 110.193 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -75.1 118.51 5.27 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.544 2.163 . . . . 15.0 112.738 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -120.55 164.74 16.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.843 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.533 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -127.37 170.36 12.6 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.388 -0.369 . . . . 15.0 110.43 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.6 t -101.99 119.29 50.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.137 -0.69 . . . . 15.0 109.137 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 22.9 p -73.09 171.38 13.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.153 0.502 . . . . 15.0 111.385 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.15 -23.13 67.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.524 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.92 -57.89 3.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.686 -0.688 . . . . 15.0 110.548 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.9 m -73.27 -15.39 61.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.587 -0.733 . . . . 15.0 112.738 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 112.486 0.551 . . . . 15.0 112.486 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 . . . . . 0 C--O 1.234 0.24 0 N-CA-C 111.593 0.22 . . . . 15.0 111.593 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.44 ' HD3' ' OE1' ' B' ' 18' ' ' GLU . 59.4 Cg_endo -74.84 176.0 10.43 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.546 2.164 . . . . 15.0 111.925 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -99.89 2.34 43.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.9 0.381 . . . . 15.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 49.8 mttm -108.85 127.82 54.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.201 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' B' ' 52' ' ' ILE . 32.8 tp -54.38 -52.63 67.57 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 113.286 0.847 . . . . 15.0 113.286 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 8.8 Cg_endo -51.52 -45.25 38.82 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.249 1.966 . . . . 15.0 112.756 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -68.89 -37.41 79.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.999 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.52 -37.72 87.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.973 0.416 . . . . 15.0 110.174 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m -64.03 -42.74 97.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.061 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.6 m -64.51 -38.75 92.1 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.09 -0.505 . . . . 15.0 110.67 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.44 ' OE1' ' HD3' ' B' ' 9' ' ' PRO . 23.2 tt0 -69.19 -37.64 78.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.505 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.08 -3.51 42.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.704 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 60.97 41.18 14.46 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.713 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 14.0 t -142.51 -173.63 3.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.779 -0.646 . . . . 15.0 109.977 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 58.2 p -111.96 169.79 8.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.778 0.323 . . . . 15.0 110.915 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 12.6 mt -69.62 -17.35 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.329 0.585 . . . . 15.0 110.364 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -82.53 -29.23 30.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.718 -0.674 . . . . 15.0 110.826 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -98.0 -25.32 15.01 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.706 0.632 . . . . 15.0 112.706 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.6 tt -61.05 138.11 22.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.313 0.578 . . . . 15.0 111.169 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mm -110.23 120.99 62.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.353 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -119.4 148.23 43.46 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -114.98 151.79 33.53 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.324 -0.25 . . . . 15.0 110.324 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 50.7 t -76.61 138.34 40.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.09 0.471 . . . . 15.0 111.145 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.6 p -75.45 -18.86 15.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.689 -0.687 . . . . 15.0 110.54 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -104.49 -60.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.281 -0.418 . . . . 15.0 111.393 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -67.89 -24.41 65.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.429 -0.35 . . . . 15.0 111.284 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm 67.15 10.47 7.73 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.211 0.604 . . . . 15.0 111.189 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -98.04 170.94 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.709 -0.478 . . . . 15.0 109.709 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -84.93 131.01 34.55 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.86 0.362 . . . . 15.0 110.23 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mp -68.71 144.79 54.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.685 -0.689 . . . . 15.0 111.465 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.87 158.35 32.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.478 -0.783 . . . . 15.0 109.525 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -56.36 -37.34 69.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.991 0.424 . . . . 15.0 110.66 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -68.83 -34.92 76.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.778 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -70.88 -37.11 73.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.744 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.17 -36.04 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.066 0.46 . . . . 15.0 109.827 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -65.77 -38.59 89.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.372 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -66.44 -42.15 88.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.847 -0.615 . . . . 15.0 109.885 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.59 -36.52 78.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.679 -0.691 . . . . 15.0 110.862 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.04 -17.94 48.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 15.0 111.238 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -84.25 -32.53 24.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.026 0.441 . . . . 15.0 110.289 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -86.52 160.1 19.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.021 -0.536 . . . . 15.0 110.264 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -83.74 45.88 1.11 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.866 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.96 162.15 13.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.58 . . . . 15.0 110.976 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 37.5 m -119.9 161.99 19.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.749 -0.66 . . . . 15.0 109.415 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' B' ' 12' ' ' LEU . 39.4 mt -80.12 126.21 39.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.825 0.345 . . . . 15.0 110.874 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.25 119.91 39.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.366 0.603 . . . . 15.0 109.938 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -93.72 110.51 22.14 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.694 -0.685 . . . . 15.0 110.246 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 3.3 mmm180 -122.77 130.61 53.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.071 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 9.5 t70 73.72 -26.67 0.19 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.727 0.642 . . . . 15.0 111.408 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' B' ' 55' ' ' ARG . . . 131.53 -6.99 5.59 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 111.627 -0.589 . . . . 15.0 111.627 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -103.34 137.09 19.16 Favored Pre-proline 0 C--N 1.32 -0.699 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.96 97.1 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.294 1.996 . . . . 15.0 111.576 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -96.33 156.62 16.26 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.066 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.94 -175.88 3.82 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.617 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.1 t -124.01 116.56 48.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.114 -0.698 . . . . 15.0 109.114 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . 0.422 ' CB ' ' HZ1' ' B' ' 65' ' ' LYS . 1.6 p -77.53 169.85 17.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.645 0.26 . . . . 15.0 110.743 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.77 -26.78 58.32 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.136 -0.484 . . . . 15.0 111.522 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 2.0 mppt? -62.86 -57.87 9.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.989 -0.55 . . . . 15.0 110.902 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -31.06 61.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.978 0.418 . . . . 15.0 111.123 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.8 mt -57.99 -34.68 70.24 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 112.892 0.701 . . . . 15.0 112.892 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 52.1 pttt -73.09 -20.95 60.85 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.678 -0.409 . . . . 15.0 111.635 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -77.72 -26.35 49.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.717 0.294 . . . . 15.0 111.388 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.669 -0.682 . . . . 15.0 111.003 -178.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo . . . . . 0 N--CA 1.465 -0.205 0 CA-C-O 121.049 0.354 . . . . 15.0 112.083 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -96.34 14.42 24.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.667 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -119.24 128.75 54.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 15.0 110.512 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 44.0 tp -54.1 -51.06 80.71 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 113.361 0.874 . . . . 15.0 113.361 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.6 Cg_endo -54.07 -34.97 79.99 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.134 1.889 . . . . 15.0 113.092 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -83.27 -30.41 27.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 15.0 110.957 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.6 tp -64.92 -34.1 77.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 15.0 110.575 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.1 m -56.65 -35.92 68.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.686 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -33.99 75.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.912 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -67.18 -42.26 84.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.054 0.454 . . . . 15.0 110.313 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mp -81.92 -4.64 57.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.898 -0.592 . . . . 15.0 111.575 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 59.79 51.07 6.4 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.184 0.516 . . . . 15.0 110.275 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.493 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 14.6 t -152.06 179.64 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.835 -0.621 . . . . 15.0 110.273 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.9 p -106.13 175.68 5.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.716 0.293 . . . . 15.0 110.508 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mt -73.16 -9.8 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.421 0.629 . . . . 15.0 110.614 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -99.11 -2.88 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.598 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.493 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 11.5 t70 -132.6 -1.6 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.458 -0.337 . . . . 15.0 111.754 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 tt -75.72 111.38 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.648 0.737 . . . . 15.0 111.022 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.7 mm -89.65 90.58 3.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.654 -0.703 . . . . 15.0 110.137 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.0 tp -101.92 143.44 31.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.146 -0.479 . . . . 15.0 109.972 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -105.92 155.16 19.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.375 -0.375 . . . . 15.0 111.119 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 28.9 t -70.27 143.94 51.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.865 -0.607 . . . . 15.0 111.238 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.16 -34.02 67.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.782 -0.645 . . . . 15.0 111.944 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.606 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 41.3 m-85 -105.71 -48.37 3.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.411 0.523 . . . . 15.0 112.411 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 66' ' ' CYS . 3.3 m -75.59 -26.38 57.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.698 0.285 . . . . 15.0 110.856 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 54.2 mttp 63.01 21.08 12.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.649 -0.705 . . . . 15.0 111.005 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -91.17 150.79 21.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.191 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -72.94 121.33 19.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.164 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.78 136.69 45.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.783 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.518 ' O ' HG22 ' A' ' 42' ' ' VAL . 21.2 mt -77.27 158.66 30.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.622 -0.51 . . . . 15.0 109.622 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -59.12 -18.35 34.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.047 -0.524 . . . . 15.0 112.176 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.519 ' HB3' ' OE2' ' A' ' 41' ' ' GLU . 9.8 ttp180 -72.17 -51.52 20.87 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.956 0.408 . . . . 15.0 110.361 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.519 ' OE2' ' HB3' ' A' ' 40' ' ' ARG . 1.1 pm0 -68.98 -33.38 73.59 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 38' ' ' LEU . 79.9 t -62.64 -37.92 80.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 15.0 110.179 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -62.65 -43.03 99.84 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.281 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.92 -35.57 81.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.249 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -69.43 -33.49 73.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.721 -0.672 . . . . 15.0 110.633 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.05 -32.24 39.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.941 0.401 . . . . 15.0 111.281 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -73.14 -52.41 14.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.657 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -81.51 135.66 35.6 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.604 -0.517 . . . . 15.0 109.604 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -74.94 97.39 3.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.203 0.525 . . . . 15.0 110.513 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.7 mt -115.83 -175.46 2.73 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.617 -0.719 . . . . 15.0 109.634 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.94 135.22 54.41 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.416 -0.356 . . . . 15.0 110.158 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 12' ' ' LEU . 56.9 mt -80.35 127.17 39.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.197 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.2 m -92.14 119.06 38.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.217 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -93.68 109.08 20.74 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 110.04 -0.356 . . . . 15.0 110.04 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -83.43 105.13 14.12 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.637 -0.875 . . . . 15.0 108.637 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 20.6 t70 75.92 -46.94 0.56 Allowed 'General case' 0 N--CA 1.47 0.543 0 O-C-N 124.18 0.925 . . . . 15.0 110.666 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.58 -15.31 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 116.009 -0.542 . . . . 15.0 111.889 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -88.71 140.49 29.64 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 120.651 0.262 . . . . 15.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -70.99 109.44 2.55 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.521 2.147 . . . . 15.0 111.901 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -111.83 148.01 34.51 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.18 -0.464 . . . . 15.0 110.219 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.16 165.94 10.87 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.121 -0.491 . . . . 15.0 110.64 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -106.82 112.13 38.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.087 -0.708 . . . . 15.0 109.087 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 65' ' ' LYS . 28.7 p -69.18 169.65 11.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.86 0.362 . . . . 15.0 110.461 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.35 -21.75 65.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.244 0.545 . . . . 15.0 110.342 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.533 ' HB3' ' SG ' ' A' ' 63' ' ' CYS . 0.3 OUTLIER -76.9 -57.47 3.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.208 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 85.2 m -69.73 -18.71 63.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.893 -0.594 . . . . 15.0 111.456 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 121.271 0.558 . . . . 15.0 110.493 178.73 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.548 0 CA-C-O 121.078 0.466 . . . . 15.0 111.633 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.9 -166.03 0.36 Allowed 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.878 2.385 . . . . 15.0 112.059 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -126.66 0.52 6.79 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 122.04 -0.412 . . . . 15.0 111.578 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -124.15 139.46 53.91 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.163 -0.31 . . . . 15.0 110.163 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.508 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 26.2 tp -52.19 -52.69 60.12 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 113.018 0.747 . . . . 15.0 113.018 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 7.7 Cg_endo -51.27 -34.08 47.83 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.683 2.255 . . . . 15.0 112.987 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -79.83 -31.45 40.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 15.0 110.98 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 tp -68.47 -38.33 80.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.85 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.468 ' SG ' HG12 ' B' ' 23' ' ' ILE . 64.4 m -59.04 -39.88 83.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.289 -0.414 . . . . 15.0 110.767 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -35.33 80.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 15.0 111.153 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.51 -30.74 70.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.626 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -92.73 1.52 57.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.544 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 56.5 47.89 17.82 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.826 -0.625 . . . . 15.0 111.198 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 15.2 t -150.29 179.42 8.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.007 -0.542 . . . . 15.0 109.846 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 34.6 p -103.26 -179.69 4.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.814 0.34 . . . . 15.0 110.735 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.468 HG12 ' SG ' ' B' ' 16' ' ' CYS . 4.9 mt -81.17 -5.37 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.33 0.586 . . . . 15.0 110.568 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -83.79 -20.96 32.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.711 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -148.2 87.89 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.725 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.1 tt -139.01 140.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.987 -0.551 . . . . 15.0 110.285 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 39.0 mm -80.3 94.6 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.924 -0.398 . . . . 15.0 109.924 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -127.8 133.37 49.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.988 -0.551 . . . . 15.0 110.594 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -127.47 170.18 12.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.351 -0.386 . . . . 15.0 110.792 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 43.9 t -80.03 144.58 33.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.98 -0.554 . . . . 15.0 110.736 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 p -76.26 -27.86 17.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.622 -0.717 . . . . 15.0 111.856 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -106.77 -50.87 3.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.206 0.447 . . . . 15.0 112.206 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -76.84 -23.43 52.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.751 -0.204 . . . . 15.0 111.195 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.9 tptp 65.79 16.79 10.64 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.549 0.69 . . . . 15.0 110.539 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -86.57 136.89 32.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.69 -0.686 . . . . 15.0 109.948 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -69.35 124.52 24.08 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.25 -0.648 . . . . 15.0 109.25 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -70.97 139.44 50.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.202 0.525 . . . . 15.0 111.191 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.474 ' O ' HG21 ' B' ' 42' ' ' VAL . 13.1 mt -83.59 162.55 20.79 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.58 -0.896 . . . . 15.0 108.58 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -56.77 -32.44 65.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.733 0.302 . . . . 15.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -62.52 -36.98 84.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.992 -0.549 . . . . 15.0 110.663 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -82.7 -39.19 22.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.324 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.474 HG21 ' O ' ' B' ' 38' ' ' LEU . 60.0 t -64.71 -35.33 74.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.366 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -34.53 75.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.895 -0.593 . . . . 15.0 111.193 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -70.4 -39.81 74.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.194 0.521 . . . . 15.0 110.006 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -65.67 -33.37 75.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.519 -0.764 . . . . 15.0 110.662 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.401 ' HB1' HG22 ' B' ' 23' ' ' ILE . . . -77.21 -30.04 54.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.313 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -80.81 -54.15 5.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.09 -0.505 . . . . 15.0 110.746 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -88.19 119.6 28.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.193 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.03 105.88 0.26 Allowed 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.876 -0.602 . . . . 15.0 111.647 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.8 mt -132.48 160.38 36.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.669 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.79 139.6 33.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.993 0.425 . . . . 15.0 111.42 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 53.0 mt -81.88 135.9 24.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.727 -0.669 . . . . 15.0 110.203 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 39.8 t -100.45 114.0 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.24 -0.437 . . . . 15.0 109.932 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -99.3 110.38 22.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.795 0.331 . . . . 15.0 110.99 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -89.07 108.43 19.59 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.116 -0.698 . . . . 15.0 109.116 179.388 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 9.7 m-20 73.52 -72.2 0.12 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 124.105 0.878 . . . . 15.0 110.282 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.37 21.51 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.166 -0.54 . . . . 15.0 111.914 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . 0.537 ' HB3' ' CE2' ' B' ' 60' ' ' TYR . 23.3 t30 -117.27 136.0 23.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.2 -0.296 . . . . 15.0 110.2 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 7.0 Cg_exo -72.71 117.52 5.16 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.784 2.323 . . . . 15.0 112.996 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . 0.537 ' CE2' ' HB3' ' B' ' 58' ' ' ASN . 65.6 m-85 -127.92 145.31 51.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.141 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.61 176.31 5.17 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.115 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 14.8 t -96.93 112.1 28.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.83 -0.804 . . . . 15.0 108.83 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' B' ' 65' ' ' LYS . 29.2 p -72.23 171.55 11.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.084 0.469 . . . . 15.0 111.142 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -61.22 -26.63 67.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.462 -0.79 . . . . 15.0 110.177 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.438 ' HB2' ' SG ' ' B' ' 63' ' ' CYS . 4.8 mtpm? -73.11 -52.55 13.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.872 -0.604 . . . . 15.0 110.223 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 72.8 m -66.81 -32.43 73.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 15.0 111.025 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.0 -30.98 72.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.249 0.547 . . . . 15.0 109.898 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -80.68 -23.95 39.25 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.487 -0.779 . . . . 15.0 110.185 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -77.34 -49.34 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 15.0 111.18 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.588 -0.72 . . . . 15.0 110.995 -178.659 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo . . . . . 0 CA--C 1.532 0.412 0 CA-C-O 120.773 0.239 . . . . 15.0 111.897 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -122.33 -46.01 2.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.851 0.315 . . . . 15.0 111.851 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -106.9 163.9 12.57 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.174 0.511 . . . . 15.0 111.991 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 35.6 tp -60.4 -49.32 90.83 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.181 -0.918 . . . . 15.0 113.188 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.5 Cg_endo -50.79 -36.53 52.18 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.276 1.984 . . . . 15.0 112.413 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 9.0 mt-30 -73.12 -44.93 59.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.48 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.2 tp -57.54 -35.45 70.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.7 -0.682 . . . . 15.0 111.287 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.526 ' SG ' HG12 ' A' ' 23' ' ' ILE . 48.2 m -60.59 -41.14 94.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.039 0.447 . . . . 15.0 110.161 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.5 m -70.65 -40.64 72.91 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.988 -0.551 . . . . 15.0 110.755 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 17.6 mm-40 -62.85 -33.62 75.63 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.167 0.508 . . . . 15.0 110.083 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -85.9 0.22 53.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.683 -0.69 . . . . 15.0 110.982 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 58.33 46.79 14.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.068 -0.514 . . . . 15.0 111.222 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 t -151.74 -171.19 3.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.123 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -113.49 176.12 5.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.774 0.321 . . . . 15.0 110.511 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.526 HG12 ' SG ' ' A' ' 16' ' ' CYS . 4.4 mt -76.55 -3.7 5.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.313 0.578 . . . . 15.0 110.711 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -96.27 -19.43 19.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.225 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -128.95 20.25 5.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.102 0.477 . . . . 15.0 111.292 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 tt -82.59 131.91 32.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.255 0.55 . . . . 15.0 110.654 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -100.57 115.9 42.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.271 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tp -129.37 151.63 49.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.181 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -125.01 159.81 30.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.618 0.247 . . . . 15.0 110.523 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.4 t -72.25 143.99 48.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.102 0.477 . . . . 15.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -77.42 -23.4 14.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.698 -0.683 . . . . 15.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -107.12 -53.84 2.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.811 0.338 . . . . 15.0 111.901 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.6 m -78.44 -20.8 50.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.242 -0.435 . . . . 15.0 111.976 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 tptp 64.63 13.97 8.68 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.785 0.802 . . . . 15.0 109.981 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -79.07 141.8 37.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.437 -0.801 . . . . 15.0 109.964 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -72.31 119.0 15.89 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.915 -0.402 . . . . 15.0 109.915 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' HG ' ' HG3' ' A' ' 41' ' ' GLU . 7.5 mp -73.21 129.12 37.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.721 -0.672 . . . . 15.0 110.921 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.501 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 65.8 mt -82.46 170.16 15.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.974 -0.557 . . . . 15.0 109.977 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -61.58 -20.23 63.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.537 -0.301 . . . . 15.0 111.683 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HB3' ' OE1' ' A' ' 41' ' ' GLU . 6.8 ttp180 -67.21 -53.35 31.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.924 0.393 . . . . 15.0 110.347 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 1.2 pm0 -69.27 -29.84 67.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.435 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 38' ' ' LEU . 59.3 t -63.19 -42.8 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.2 -0.667 . . . . 15.0 109.2 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -68.65 -37.41 79.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.91 -0.586 . . . . 15.0 109.754 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -34.67 78.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.333 0.587 . . . . 15.0 109.696 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -69.69 -47.83 61.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.603 -0.726 . . . . 15.0 109.621 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.53 -19.53 65.31 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.861 -0.609 . . . . 15.0 111.471 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.23 -13.71 61.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.116 0.484 . . . . 15.0 110.656 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 61.1 mtt85 -126.28 -179.83 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.0 -0.545 . . . . 15.0 109.876 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.83 70.13 0.71 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.195 0.521 . . . . 15.0 110.277 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.26 159.87 14.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.562 -0.744 . . . . 15.0 110.62 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.9 p -99.97 146.91 26.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.08 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 12' ' ' LEU . 76.0 mt -81.12 137.78 20.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.144 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 t -99.99 111.14 28.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.929 0.395 . . . . 15.0 110.088 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -96.8 109.05 21.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.385 -0.371 . . . . 15.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.4 114.37 28.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.066 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 71.3 -7.44 1.17 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.857 0.723 . . . . 15.0 111.964 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.79 -8.46 10.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.801 -0.714 . . . . 15.0 112.254 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.434 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 5.3 t30 -86.6 141.38 34.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.694 -0.484 . . . . 15.0 109.694 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 5.9 Cg_exo -75.2 96.48 1.03 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.558 2.172 . . . . 15.0 112.332 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -112.13 161.61 16.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.239 0.542 . . . . 15.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.56 -178.23 5.98 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.722 -0.672 . . . . 15.0 109.818 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 m -99.05 123.24 51.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.504 -0.554 . . . . 15.0 109.504 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.2 p -74.73 177.67 6.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.09 0.471 . . . . 15.0 110.613 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.19 -24.16 64.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.794 -0.639 . . . . 15.0 110.05 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -78.88 -57.68 3.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.348 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 84.1 m -56.9 -37.67 71.73 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.662 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.11 0.481 . . . . 15.0 111.129 179.341 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.464 0.253 0 CA-C-O 120.829 0.347 . . . . 15.0 111.285 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.61 177.32 8.87 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.509 2.139 . . . . 15.0 111.417 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -107.65 10.5 29.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.821 0.343 . . . . 15.0 110.93 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -125.08 129.75 50.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 15.0 110.069 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.479 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 53.4 tp -52.05 -52.62 60.22 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 114.099 1.148 . . . . 15.0 114.099 -177.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 10.3 Cg_endo -52.46 -35.97 68.05 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.262 1.975 . . . . 15.0 112.951 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -79.94 -30.62 39.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.823 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.13 -35.53 79.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.117 0.484 . . . . 15.0 110.241 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.419 ' SG ' HG12 ' B' ' 23' ' ' ILE . 57.4 m -61.15 -41.67 97.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.66 -0.7 . . . . 15.0 110.788 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -39.15 92.51 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.374 -0.375 . . . . 15.0 110.951 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.74 -40.84 92.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.743 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.5 -7.98 57.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.209 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 65.71 37.76 5.61 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.555 -0.748 . . . . 15.0 111.827 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -143.92 -174.05 4.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.297 -0.41 . . . . 15.0 110.209 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 49.0 p -114.7 172.74 6.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.949 0.404 . . . . 15.0 111.757 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.419 HG12 ' SG ' ' B' ' 16' ' ' CYS . 9.4 mt -71.68 -5.46 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.029 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -97.6 -2.86 40.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.174 -0.467 . . . . 15.0 110.804 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -128.14 -34.92 2.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.769 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 20.3 tt -62.71 127.14 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 121.355 0.598 . . . . 15.0 111.706 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 49.9 mm -114.49 121.15 66.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.551 . . . . 15.0 109.664 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 mp -112.96 160.68 17.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.311 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -110.07 156.47 20.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.645 -0.252 . . . . 15.0 110.506 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . 0.579 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 52.5 t -72.15 144.09 48.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.077 0.465 . . . . 15.0 109.898 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.7 p -80.14 -22.96 11.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.169 -0.469 . . . . 15.0 111.083 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -106.44 -49.48 3.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.896 -0.322 . . . . 15.0 111.524 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 m -81.99 -22.69 36.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.916 0.389 . . . . 15.0 110.496 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.579 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 5.7 mptt 62.59 20.36 11.94 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.405 -0.816 . . . . 15.0 111.302 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -92.12 156.65 17.21 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.542 -0.54 . . . . 15.0 109.542 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -74.68 126.74 31.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.999 0.428 . . . . 15.0 111.163 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -85.01 129.58 34.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.407 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.519 ' O ' HG21 ' B' ' 42' ' ' VAL . 68.6 mt -76.96 156.81 31.69 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.347 -0.612 . . . . 15.0 109.347 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -52.43 -29.33 23.91 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.156 0.285 . . . . 15.0 111.177 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -59.78 -49.04 79.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.389 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -32.23 68.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.126 0.489 . . . . 15.0 109.785 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.519 HG21 ' O ' ' B' ' 38' ' ' LEU . 48.4 t -64.97 -34.88 73.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.68 -0.691 . . . . 15.0 110.491 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -66.8 -37.16 84.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.151 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -67.39 -31.11 71.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 15.0 109.872 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -62.45 -34.9 77.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.621 -0.718 . . . . 15.0 109.847 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.09 -24.29 24.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.651 -0.704 . . . . 15.0 110.7 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -74.6 -42.2 59.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.477 -0.783 . . . . 15.0 110.689 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -100.26 162.8 12.73 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.02 -0.536 . . . . 15.0 109.755 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -81.85 104.44 12.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.943 0.401 . . . . 15.0 110.462 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.8 mt -134.5 170.57 15.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.808 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.06 152.88 46.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.749 -0.66 . . . . 15.0 109.65 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 53.8 mt -80.37 128.77 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.072 0.463 . . . . 15.0 110.621 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.51 131.91 40.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.689 -0.687 . . . . 15.0 109.33 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -111.44 115.34 29.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.225 0.536 . . . . 15.0 111.542 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -103.39 113.28 26.64 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.696 -0.853 . . . . 15.0 108.696 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 70.94 -77.53 0.05 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.92 0.762 . . . . 15.0 110.675 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.12 23.77 0.28 Allowed Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.676 -0.57 . . . . 15.0 111.676 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -126.2 138.68 32.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.38 0.133 . . . . 15.0 110.779 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -74.78 117.6 4.99 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.654 2.236 . . . . 15.0 111.757 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -115.24 171.38 7.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.206 -0.452 . . . . 15.0 110.115 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -128.64 -179.55 5.12 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.905 -0.589 . . . . 15.0 110.368 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 t -116.0 122.85 70.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.816 -0.629 . . . . 15.0 109.38 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 23.1 p -77.18 175.5 9.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.974 0.416 . . . . 15.0 111.112 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.03 -26.45 67.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.952 -0.567 . . . . 15.0 111.241 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -71.94 -59.08 2.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.013 -0.54 . . . . 15.0 111.33 -179.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 3.2 m -73.2 -22.71 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.578 0.584 . . . . 15.0 112.578 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 0.5 OUTLIER -50.62 -48.06 58.16 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.262 0.468 . . . . 15.0 112.262 -178.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -79.99 -23.34 41.63 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.946 0.35 . . . . 15.0 111.946 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -77.35 -44.12 30.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.926 0.394 . . . . 15.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.314 -0.85 . . . . 15.0 111.076 -179.033 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.402 ' CD ' ' HG3' ' A' ' 18' ' ' GLU . 25.4 Cg_exo . . . . . 0 N--CA 1.465 -0.18 0 CA-C-O 121.082 0.367 . . . . 15.0 112.055 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -96.85 1.37 50.53 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.537 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -118.5 136.17 53.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.463 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.501 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 14.3 tp -55.36 -50.49 86.44 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 113.788 1.032 . . . . 15.0 113.788 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.1 Cg_endo -54.74 -43.13 62.08 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.132 1.888 . . . . 15.0 113.088 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -72.58 -30.47 64.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 15.0 110.772 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.5 tp -64.82 -34.18 77.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.031 0.443 . . . . 15.0 109.893 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.3 m -60.99 -39.77 90.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.168 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -64.77 -35.47 81.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.506 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' HG3' ' CD ' ' A' ' 9' ' ' PRO . 6.0 mm-40 -68.14 -36.59 79.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 15.0 110.303 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.4 mt -81.38 -6.81 59.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.991 -0.549 . . . . 15.0 110.647 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 63.1 40.37 9.11 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.768 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -145.42 -172.71 3.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.845 -0.616 . . . . 15.0 109.733 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.2 p -106.42 175.11 5.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.737 0.303 . . . . 15.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mt -72.29 1.39 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.132 0.491 . . . . 15.0 111.221 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -100.47 -7.98 23.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.071 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -123.4 -12.5 7.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.982 0.364 . . . . 15.0 111.982 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.0 tt -68.79 118.35 12.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.521 . . . . 15.0 110.974 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.6 mm -110.75 118.09 56.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.936 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -124.31 160.78 27.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.982 -0.553 . . . . 15.0 109.621 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -115.59 155.64 27.25 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.264 -0.174 . . . . 15.0 110.823 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 50.6 t -67.3 139.97 57.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 15.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -72.17 -31.21 38.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.631 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -95.62 -48.4 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.037 0.384 . . . . 15.0 112.037 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.2 m -83.09 -21.56 33.66 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.184 0.439 . . . . 15.0 112.184 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 4.4 mptt 58.65 45.13 16.43 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.578 0.704 . . . . 15.0 111.008 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -122.49 139.68 53.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.42 -0.809 . . . . 15.0 109.398 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -65.68 127.54 32.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.009 0.433 . . . . 15.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mp -83.33 142.83 30.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.508 -0.769 . . . . 15.0 110.909 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 85.3 mt -85.29 163.92 18.33 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.003 -0.739 . . . . 15.0 109.003 178.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -60.18 -19.07 52.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.7 0.286 . . . . 15.0 111.228 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -61.73 -50.22 73.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.84 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -76.62 -27.98 55.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.592 -179.488 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 38' ' ' LEU . 76.8 t -60.59 -40.43 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.035 -0.53 . . . . 15.0 110.374 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -68.79 -32.78 72.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.392 . . . . 15.0 110.57 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.4 ' OD1' ' HD2' ' A' ' 48' ' ' ARG . 4.5 t70 -67.86 -40.04 83.69 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.426 -0.583 . . . . 15.0 109.426 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -62.43 -34.09 76.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.167 -0.924 . . . . 15.0 110.472 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.03 -25.99 31.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.993 -0.549 . . . . 15.0 110.846 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -73.16 -54.79 7.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.09 -0.504 . . . . 15.0 109.818 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.4 ' HD2' ' OD1' ' A' ' 44' ' ' ASP . 33.6 mtt85 -82.99 162.94 21.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.823 -0.626 . . . . 15.0 109.7 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -91.98 103.23 15.77 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.657 -0.417 . . . . 15.0 110.744 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.0 mt -130.27 175.73 8.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.046 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.9 p -124.93 147.76 48.7 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.396 -0.366 . . . . 15.0 110.342 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.407 HD12 HG23 ' A' ' 52' ' ' ILE . 57.2 mt -81.11 125.92 39.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.738 0.304 . . . . 15.0 110.466 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -91.18 129.38 42.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.999 -0.546 . . . . 15.0 110.021 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -106.94 111.2 23.59 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.395 -0.366 . . . . 15.0 110.872 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.407 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 2.1 tmm_? -97.12 112.71 24.37 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.86 -0.793 . . . . 15.0 108.86 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 t70 63.9 19.86 11.94 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.629 0.728 . . . . 15.0 110.099 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.89 -8.39 70.53 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.498 -0.774 . . . . 15.0 112.508 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.474 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 1.2 t-20 -87.21 133.9 37.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.92 -0.4 . . . . 15.0 109.92 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 41.6 Cg_endo -67.99 116.84 4.52 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.678 2.252 . . . . 15.0 112.857 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 55' ' ' ARG . 33.2 m-85 -121.9 163.92 18.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.63 -0.714 . . . . 15.0 109.823 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.52 -177.54 3.93 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.874 0.369 . . . . 15.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.8 t -114.49 122.04 67.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.036 -0.727 . . . . 15.0 109.036 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 27.6 p -75.86 -179.79 5.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.176 0.512 . . . . 15.0 111.454 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -70.61 -17.35 62.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.486 -0.779 . . . . 15.0 110.515 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -82.67 -52.79 6.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 15.0 110.108 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.7 m -73.32 -17.84 61.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.68 -0.691 . . . . 15.0 111.625 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 22.7 tp . . . . . 0 CA--C 1.533 0.318 0 CA-C-N 115.981 -0.554 . . . . 15.0 112.358 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.238 0.454 0 N-CA-C 109.556 -0.535 . . . . 15.0 109.556 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.442 ' C ' ' H ' ' B' ' 11' ' ' LYS . 10.3 Cg_endo -52.43 143.2 45.38 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.699 2.266 . . . . 15.0 111.884 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.609 ' N ' ' HD3' ' B' ' 10' ' ' ARG . 0.0 OUTLIER -77.98 20.08 0.38 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.87 -0.604 . . . . 15.0 111.119 -178.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.442 ' H ' ' C ' ' B' ' 9' ' ' PRO . 64.1 mmtt -131.87 123.8 28.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.266 -0.642 . . . . 15.0 109.266 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 36.1 tp -51.54 -50.47 76.65 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 113.479 0.918 . . . . 15.0 113.479 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 10.0 Cg_endo -53.59 -35.09 75.88 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 122.301 2.0 . . . . 15.0 113.213 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -86.26 -27.96 24.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 15.0 110.838 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.65 -35.02 79.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.149 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 34.4 m -64.54 -29.68 70.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.925 -0.579 . . . . 15.0 110.592 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -38.47 78.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.533 -0.303 . . . . 15.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -68.98 -23.41 64.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.269 0.557 . . . . 15.0 109.71 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 15.2 mt -94.21 -1.59 53.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.391 -0.822 . . . . 15.0 110.082 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 57.25 44.03 22.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.534 -0.757 . . . . 15.0 111.67 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.8 t -147.81 -172.86 4.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.401 -0.363 . . . . 15.0 110.548 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.7 p -118.36 172.04 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.775 0.322 . . . . 15.0 111.297 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 mt -72.34 -3.5 4.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.26 0.552 . . . . 15.0 111.273 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -102.07 7.9 41.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.03 0.443 . . . . 15.0 109.937 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -130.31 -39.09 1.35 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.994 -0.548 . . . . 15.0 111.294 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 12.0 tt -65.98 133.66 30.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.092 -0.503 . . . . 15.0 111.331 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 36.6 mm -124.43 129.03 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.133 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.7 mp -114.25 158.41 21.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.431 -0.35 . . . . 15.0 110.451 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.458 ' HB2' ' CE2' ' B' ' 60' ' ' TYR . 85.6 mt-10 -105.05 158.21 16.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.37 -0.377 . . . . 15.0 110.035 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 37.0 t -73.52 136.75 44.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.901 -0.407 . . . . 15.0 109.901 178.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.407 HG13 ' CD2' ' B' ' 32' ' ' TYR . 4.8 p -66.56 -23.54 31.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.753 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.538 ' HB2' ' SG ' ' B' ' 66' ' ' CYS . 67.6 m-85 -109.14 -53.52 2.64 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.04 0.385 . . . . 15.0 112.04 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 5.4 m -74.55 -22.6 58.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.726 0.298 . . . . 15.0 111.164 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 51.6 mttp 62.19 26.79 16.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.653 -0.703 . . . . 15.0 111.136 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -99.63 149.93 22.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.529 -0.76 . . . . 15.0 109.718 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -74.75 124.95 27.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.841 0.353 . . . . 15.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.74 130.76 36.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.035 -0.53 . . . . 15.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.85 157.05 38.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.974 -0.557 . . . . 15.0 109.502 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -55.8 -29.86 60.41 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.77 0.319 . . . . 15.0 110.588 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -58.44 -47.01 85.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 15.0 110.685 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.3 -33.51 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.799 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.5 -37.99 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 15.0 111.044 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -65.35 -40.76 94.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.574 -0.284 . . . . 15.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.09 -36.71 80.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.429 0.633 . . . . 15.0 109.394 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -60.42 -41.84 94.8 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.292 -0.867 . . . . 15.0 110.657 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.06 -25.54 40.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -44.19 69.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.541 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -81.07 162.22 23.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.106 -0.331 . . . . 15.0 110.106 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -84.07 78.24 9.79 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.247 -0.649 . . . . 15.0 109.247 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.1 mt -110.28 -167.81 1.24 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.373 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 p -147.34 152.6 38.48 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.762 -0.458 . . . . 15.0 109.762 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 5.0 mp -80.21 122.97 36.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.587 -0.523 . . . . 15.0 109.587 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.6 t -90.41 127.82 42.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.578 -0.527 . . . . 15.0 109.578 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -94.09 111.07 22.75 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.043 0.449 . . . . 15.0 111.674 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -95.76 114.01 25.7 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.604 -0.887 . . . . 15.0 108.604 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 68.78 -78.06 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.92 0.762 . . . . 15.0 109.882 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.76 25.11 0.36 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.124 -0.56 . . . . 15.0 112.07 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -134.45 146.1 57.91 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.576 0.227 . . . . 15.0 110.783 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.76 117.58 4.87 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.941 2.427 . . . . 15.0 112.204 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . 0.458 ' CE2' ' HB2' ' B' ' 29' ' ' GLU . 4.8 m-85 -119.42 162.84 18.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.062 -0.517 . . . . 15.0 109.953 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.57 179.51 4.2 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.881 0.372 . . . . 15.0 110.903 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.5 120.4 64.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.815 -0.63 . . . . 15.0 109.482 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . 0.591 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 30.7 p -72.93 175.65 6.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.982 0.42 . . . . 15.0 111.097 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.36 -23.54 67.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.818 -0.628 . . . . 15.0 110.804 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.431 ' HB2' ' SG ' ' B' ' 63' ' ' CYS . 18.9 mtpt -76.52 -58.07 3.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.951 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 29.4 m -70.3 -23.79 62.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.035 -0.53 . . . . 15.0 112.132 -178.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.591 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 9.7 tp -56.21 -46.85 79.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.739 0.304 . . . . 15.0 111.546 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -80.3 -24.83 39.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.84 0.352 . . . . 15.0 111.12 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -76.01 -46.46 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.5 0.556 . . . . 15.0 112.5 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.966 -0.54 . . . . 15.0 111.471 -178.436 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo . . . . . 0 N--CA 1.463 -0.276 0 CA-C-O 121.125 0.386 . . . . 15.0 112.201 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.438 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 2.2 mpt_? -96.59 -3.4 43.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.268 -0.424 . . . . 15.0 111.504 -178.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HB2' ' OE1' ' A' ' 14' ' ' GLN . 51.8 mttm -107.78 133.74 51.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.563 -0.29 . . . . 15.0 110.252 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.4 tp -52.9 -51.57 73.13 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 113.257 0.836 . . . . 15.0 113.257 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.1 Cg_endo -55.88 -40.22 86.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 121.857 1.705 . . . . 15.0 112.551 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.469 ' OE1' ' HB2' ' A' ' 11' ' ' LYS . 93.6 mt-30 -69.19 -33.65 73.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.926 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.89 -35.1 80.05 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.518 -0.549 . . . . 15.0 109.518 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -64.35 -40.21 95.41 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.743 -0.662 . . . . 15.0 109.995 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -44.3 96.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.585 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.08 -35.61 80.83 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.23 0.538 . . . . 15.0 110.336 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mt -82.18 -3.22 54.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.776 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 59.65 43.92 15.05 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.771 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 7.8 t -150.79 -174.18 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.001 -0.545 . . . . 15.0 110.568 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.4 p -111.54 175.56 5.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.993 0.425 . . . . 15.0 111.334 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.6 mt -69.68 -13.16 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -89.17 -6.86 56.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.007 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.412 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 29.3 t70 -120.96 -27.06 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.689 0.255 . . . . 15.0 111.689 -178.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.5 tt -58.09 124.35 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 121.396 0.617 . . . . 15.0 111.628 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.1 mm -106.6 117.09 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.855 -0.612 . . . . 15.0 110.54 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mp -124.24 148.13 47.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.223 -0.444 . . . . 15.0 109.818 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -109.64 158.44 18.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.36 -0.382 . . . . 15.0 110.358 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.4 t -67.27 140.06 57.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.186 0.517 . . . . 15.0 110.966 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.42 -22.42 22.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.533 -0.758 . . . . 15.0 111.05 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -104.22 -63.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.404 ' HB2' ' HG2' ' A' ' 35' ' ' GLN . 28.1 m -68.61 -20.6 64.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.732 0.301 . . . . 15.0 111.667 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 67.0 9.07 6.61 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.896 -0.593 . . . . 15.0 111.652 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.404 ' HG2' ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -87.62 151.63 22.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.505 -0.316 . . . . 15.0 110.32 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -69.42 134.79 49.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.165 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -81.21 141.41 34.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.45 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.472 ' O ' HG23 ' A' ' 42' ' ' VAL . 92.9 mt -81.0 167.65 19.57 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.998 -0.371 . . . . 15.0 109.998 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -61.84 -15.6 43.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.527 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 40' ' ' ARG . 9.5 mmm180 -75.6 -47.48 26.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.065 0.46 . . . . 15.0 110.333 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mp0 -71.4 -33.32 69.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.905 -0.589 . . . . 15.0 111.455 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 38' ' ' LEU . 51.1 t -62.4 -39.89 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.88 0.372 . . . . 15.0 110.771 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -66.67 -45.95 77.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.549 . . . . 15.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -61.31 -39.8 91.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.68 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -60.83 -36.46 79.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 15.0 111.09 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.56 -24.21 49.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 15.0 111.355 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.95 -24.61 48.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 15.0 110.527 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.47 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 46.6 mtt180 -87.17 174.13 8.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.422 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -104.24 21.93 15.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.221 0.534 . . . . 15.0 110.953 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.78 155.52 26.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.582 -0.736 . . . . 15.0 110.142 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.5 m -103.87 172.43 6.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.77 0.319 . . . . 15.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.6 mt -80.14 130.6 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.298 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -91.94 112.6 25.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.358 0.599 . . . . 15.0 110.435 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -93.57 107.48 19.33 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.185 0.517 . . . . 15.0 109.876 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -101.43 116.98 34.0 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.986 -0.746 . . . . 15.0 108.986 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 t70 72.06 -71.14 0.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 124.225 0.953 . . . . 15.0 110.498 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.25 29.27 0.11 Allowed Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.166 -0.774 . . . . 15.0 111.166 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -133.31 134.28 23.83 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.152 -0.314 . . . . 15.0 110.152 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -72.85 99.16 1.05 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.496 2.131 . . . . 15.0 111.222 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -97.74 159.66 14.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.311 -0.404 . . . . 15.0 110.144 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.12 168.01 10.66 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.926 -0.579 . . . . 15.0 110.339 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.0 t -116.32 114.31 45.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 108.954 -0.758 . . . . 15.0 108.954 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.34 164.96 25.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.26 -0.274 . . . . 15.0 110.26 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -53.51 -31.59 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.405 . . . . 15.0 111.76 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -57.27 -59.06 5.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 15.0 111.169 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -30.39 64.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.005 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.47 HD11 ' CZ ' ' A' ' 48' ' ' ARG . 10.0 mt . . . . . 0 C--N 1.329 -0.303 0 N-CA-C 113.066 0.765 . . . . 15.0 113.066 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.43 ' HB3' ' CE2' ' B' ' 54' ' ' TYR . 18.9 mtm180 . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 121.142 0.496 . . . . 15.0 110.835 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.444 ' CG ' ' HG3' ' B' ' 18' ' ' GLU . 12.6 Cg_exo -70.02 161.25 46.68 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.772 2.314 . . . . 15.0 111.926 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -99.22 5.64 46.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.783 0.325 . . . . 15.0 111.836 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -120.68 142.06 49.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.796 0.332 . . . . 15.0 110.695 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.455 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 39.8 tp -55.37 -53.63 59.89 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 113.251 0.834 . . . . 15.0 113.251 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.4 Cg_endo -55.16 -42.69 66.33 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.112 1.875 . . . . 15.0 112.435 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -67.98 -40.75 83.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 15.0 110.55 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.96 -38.68 86.75 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.966 -0.561 . . . . 15.0 110.572 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 64.6 m -62.4 -40.37 96.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 15.0 110.435 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m -64.24 -41.3 97.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.446 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.444 ' HG3' ' CG ' ' B' ' 9' ' ' PRO . 10.1 mm-40 -68.07 -34.7 76.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.445 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 mt -83.1 -1.82 53.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.531 . . . . 15.0 110.98 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 62.28 35.92 14.99 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.023 -0.535 . . . . 15.0 111.49 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.4 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 13.3 t -141.22 -173.05 3.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.425 -0.352 . . . . 15.0 110.422 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.08 164.98 15.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.572 -0.286 . . . . 15.0 110.405 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.23 -20.25 19.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 121.005 0.431 . . . . 15.0 111.974 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.482 ' HA ' ' HH ' ' B' ' 43' ' ' TYR . 87.6 m-70 -87.15 -5.85 58.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.241 -0.287 . . . . 15.0 111.77 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.4 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 29.7 t70 -121.37 -31.9 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.709 0.263 . . . . 15.0 111.709 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 tt -58.35 135.13 22.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.402 0.62 . . . . 15.0 111.798 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 mm -122.05 114.76 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.797 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -114.5 156.75 24.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.276 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -115.52 159.5 21.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.321 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . 0.492 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 53.5 t -68.73 138.16 54.66 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.581 -0.525 . . . . 15.0 109.581 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.99 -24.85 33.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.853 0.359 . . . . 15.0 111.32 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -101.46 -67.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.831 0.348 . . . . 15.0 111.456 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . 0.437 ' SG ' ' NZ ' ' B' ' 65' ' ' LYS . 1.4 m -67.73 -18.56 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.969 -0.559 . . . . 15.0 112.08 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.492 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 61.1 mttp 56.05 37.03 28.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.607 0.718 . . . . 15.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -97.69 139.06 34.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.113 -0.948 . . . . 15.0 109.565 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -70.44 111.29 5.89 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.87 -0.418 . . . . 15.0 109.87 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mp -73.27 130.17 39.63 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.318 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.03 149.53 50.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.655 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -48.63 -39.36 23.85 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.45 0.469 . . . . 15.0 112.079 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.508 ' HA ' ' CD2' ' B' ' 43' ' ' TYR . 47.4 ttp180 -61.48 -43.02 99.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.716 0.293 . . . . 15.0 111.363 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.9 -31.65 71.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.045 0.45 . . . . 15.0 110.415 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.59 -34.06 65.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.709 -0.678 . . . . 15.0 110.945 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . 0.508 ' CD2' ' HA ' ' B' ' 40' ' ' ARG . 16.9 m-85 -63.89 -27.08 68.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.464 -0.335 . . . . 15.0 111.078 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -26.93 66.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.955 0.407 . . . . 15.0 110.473 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.58 -31.76 70.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.627 -0.715 . . . . 15.0 110.116 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.99 -33.05 21.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.768 -0.651 . . . . 15.0 110.193 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -48.75 79.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.334 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -97.65 156.43 16.54 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.419 -0.586 . . . . 15.0 109.419 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -85.21 98.09 10.29 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.302 -0.559 . . . . 15.0 110.081 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.2 mt -126.61 169.31 13.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.799 -0.637 . . . . 15.0 110.084 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 72.8 m -113.93 146.0 40.7 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.248 -0.433 . . . . 15.0 110.225 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 47.1 mt -83.36 134.71 26.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.967 0.413 . . . . 15.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 m -97.12 136.42 27.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.288 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' B' ' 8' ' ' ARG . 23.9 m-85 -111.04 116.39 31.08 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.944 0.402 . . . . 15.0 111.299 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' B' ' 56' ' ' ASP . 0.4 OUTLIER -86.64 104.53 16.14 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.019 -1.104 . . . . 15.0 108.019 178.618 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.427 ' HB2' ' NH1' ' B' ' 55' ' ' ARG . 19.8 t70 68.72 -77.46 0.05 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.964 0.79 . . . . 15.0 110.245 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.95 21.32 0.88 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.749 -0.54 . . . . 15.0 111.749 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -121.39 138.35 28.08 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.429 0.157 . . . . 15.0 110.589 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -71.53 118.89 5.89 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.564 2.176 . . . . 15.0 112.059 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -124.37 164.46 19.59 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.184 0.516 . . . . 15.0 110.56 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.1 -174.65 2.63 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.299 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 t -123.34 121.75 63.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.321 -0.622 . . . . 15.0 109.321 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 31.0 p -70.02 170.78 10.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 15.0 111.131 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.42 -28.64 65.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.427 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.437 ' NZ ' ' SG ' ' B' ' 33' ' ' CYS . 0.1 OUTLIER -78.17 -52.79 8.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.133 -0.485 . . . . 15.0 111.088 -179.233 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 60.6 m -68.16 -23.99 64.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 15.0 111.348 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 15.8 tp -55.14 -52.96 61.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.15 0.5 . . . . 15.0 111.103 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -80.54 -14.18 58.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.054 -0.521 . . . . 15.0 111.322 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.28 -46.18 20.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.15 -0.477 . . . . 15.0 111.075 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.842 -0.599 . . . . 15.0 110.92 -179.289 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo . . . . . 0 N--CA 1.459 -0.525 0 CA-C-O 120.82 0.258 . . . . 15.0 112.076 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -96.06 -5.24 41.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.387 -0.369 . . . . 15.0 110.458 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -106.12 128.27 53.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.152 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.541 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.8 tp -54.59 -48.98 93.68 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 112.983 0.734 . . . . 15.0 112.983 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 8.9 Cg_endo -52.01 -39.67 69.26 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.16 1.907 . . . . 15.0 112.463 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -75.96 -30.97 58.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.712 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.1 tp -65.23 -35.67 81.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.307 0.575 . . . . 15.0 109.801 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -64.9 -33.15 75.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.651 -0.704 . . . . 15.0 109.916 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -38.9 72.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.505 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -66.51 -38.46 87.26 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.135 0.493 . . . . 15.0 110.115 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mt -80.87 -8.65 59.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.856 -0.611 . . . . 15.0 110.849 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 59.04 48.7 10.41 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.805 -0.634 . . . . 15.0 110.913 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -147.09 -179.87 7.13 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.348 -0.387 . . . . 15.0 110.335 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.8 p -100.83 163.79 12.14 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.106 0.479 . . . . 15.0 111.304 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.2 mt -68.5 -14.47 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 115.673 -0.694 . . . . 15.0 111.305 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.64 -4.47 55.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.353 -0.385 . . . . 15.0 110.726 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -115.43 -34.78 4.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.36 -0.382 . . . . 15.0 111.559 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.4 tt -61.66 123.71 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.356 0.598 . . . . 15.0 111.429 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -115.94 104.4 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.899 -0.591 . . . . 15.0 109.791 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tp -95.66 154.7 17.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.161 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -111.77 151.73 28.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.32 -0.4 . . . . 15.0 110.483 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.466 ' HB3' ' H ' ' A' ' 35' ' ' GLN . 46.4 t -70.89 139.16 50.69 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.715 -0.476 . . . . 15.0 109.715 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.5 p -80.92 -19.91 11.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.836 -0.62 . . . . 15.0 111.196 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -92.91 -67.83 0.84 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.219 0.452 . . . . 15.0 112.219 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.474 ' SG ' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -84.73 -9.25 58.39 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.435 0.532 . . . . 15.0 112.435 -178.378 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 13.1 mptt 59.98 62.11 1.73 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.436 0.636 . . . . 15.0 110.441 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.466 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 18.6 mm-40 -125.12 136.34 53.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.536 -0.756 . . . . 15.0 109.821 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -73.03 121.24 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.838 0.351 . . . . 15.0 110.648 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -86.12 132.81 33.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.638 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' HG22 ' A' ' 42' ' ' VAL . 31.0 tp -80.23 160.01 25.73 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.135 -0.691 . . . . 15.0 109.135 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -53.1 -24.31 9.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.529 0.204 . . . . 15.0 111.46 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -59.31 -45.13 92.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.042 0.448 . . . . 15.0 110.714 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.85 -29.52 29.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.111 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.458 ' CG1' HD21 ' A' ' 12' ' ' LEU . 97.4 t -61.12 -37.38 77.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.192 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -65.33 -36.11 83.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.496 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -67.38 -34.11 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 15.0 110.56 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -64.66 -34.4 78.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.598 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.412 ' HB2' HD22 ' A' ' 12' ' ' LEU . . . -85.24 -27.17 26.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 15.0 111.494 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -21.16 62.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 15.0 111.062 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -114.47 156.19 25.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.621 -0.511 . . . . 15.0 109.621 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -81.22 83.97 6.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.349 0.595 . . . . 15.0 110.455 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.0 mt -117.38 177.1 4.86 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.559 -0.746 . . . . 15.0 110.28 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.9 m -132.03 146.73 52.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.179 -0.464 . . . . 15.0 110.33 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.8 mt -80.69 135.61 24.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.993 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -100.72 136.53 31.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.78 -0.645 . . . . 15.0 109.954 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -113.97 110.64 20.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.952 0.405 . . . . 15.0 111.791 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 3.3 tmm_? -91.11 111.92 23.61 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.549 -0.908 . . . . 15.0 108.549 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 12.0 t70 71.71 -69.58 0.18 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.864 0.728 . . . . 15.0 110.89 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.75 34.93 0.16 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.968 -0.634 . . . . 15.0 112.205 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.44 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 29.9 t30 -137.14 133.67 18.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.44 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 37.4 Cg_endo -67.6 119.72 6.74 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.823 2.349 . . . . 15.0 112.229 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -126.47 157.53 38.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.041 0.448 . . . . 15.0 110.611 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.75 -171.16 1.88 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.785 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.42 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 6.2 t -127.84 119.66 52.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.978 -0.749 . . . . 15.0 108.978 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 2.8 p -73.16 172.72 10.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 15.0 111.118 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -58.23 -24.13 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.643 -0.708 . . . . 15.0 112.234 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.474 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -73.93 -58.69 3.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.68 -0.236 . . . . 15.0 110.947 -179.339 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.42 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -73.61 -17.86 61.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.821 0.343 . . . . 15.0 111.845 -179.607 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 11.1 tp . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.029 -0.532 . . . . 15.0 112.221 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 . . . . . 0 C--O 1.236 0.364 0 CA-C-O 120.903 0.383 . . . . 15.0 110.748 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.92 177.69 6.11 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.83 2.353 . . . . 15.0 112.493 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -102.49 -3.07 27.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.48 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -102.84 136.29 42.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.953 -0.388 . . . . 15.0 109.953 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.465 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 12.7 tp -58.27 -53.68 63.59 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.605 0.594 . . . . 15.0 112.605 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.6 Cg_endo -56.66 -34.83 96.72 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.111 1.874 . . . . 15.0 112.204 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -69.94 -35.34 74.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.759 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 tp -65.43 -34.57 78.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.039 0.447 . . . . 15.0 110.099 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 36.3 m -61.6 -33.08 73.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.704 -0.68 . . . . 15.0 110.279 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -44.16 72.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.036 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.02 -38.02 89.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 15.0 110.371 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.72 -6.67 54.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.954 -0.566 . . . . 15.0 111.145 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 57.95 44.58 19.51 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.108 -0.496 . . . . 15.0 112.202 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -150.03 -178.9 6.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.603 -0.271 . . . . 15.0 110.523 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -98.95 173.85 6.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.947 0.404 . . . . 15.0 110.607 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 mt -78.4 2.73 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.467 0.651 . . . . 15.0 110.183 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.533 ' HA ' ' HH ' ' B' ' 43' ' ' TYR . 10.0 m-70 -104.58 7.61 35.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.714 -0.676 . . . . 15.0 110.165 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -131.29 -32.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.969 -0.559 . . . . 15.0 111.887 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.5 tt -77.27 125.21 36.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.242 0.544 . . . . 15.0 111.527 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 49.8 mm -115.09 127.75 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 15.0 110.139 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.62 161.04 19.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.701 0.286 . . . . 15.0 110.686 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -111.47 156.89 20.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.561 -0.291 . . . . 15.0 110.69 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 48.6 t -69.45 139.18 53.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 15.0 110.23 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 6.8 p -73.26 -23.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.994 -0.548 . . . . 15.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -102.91 -60.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.743 0.306 . . . . 15.0 111.493 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 m -71.66 -21.49 61.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 15.0 111.463 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 93.6 mttt 64.17 17.78 10.88 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.08 -0.509 . . . . 15.0 111.083 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -90.91 158.73 16.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.357 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -77.43 132.5 38.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.863 0.363 . . . . 15.0 111.221 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -96.69 112.27 24.09 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.111 -0.495 . . . . 15.0 109.817 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.415 ' O ' HG22 ' B' ' 42' ' ' VAL . 71.5 mt -67.72 165.45 17.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.779 -0.452 . . . . 15.0 109.779 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -54.0 -21.71 8.81 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.772 0.32 . . . . 15.0 111.618 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -59.38 -49.61 77.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.994 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -82.34 -25.74 33.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.721 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.415 HG22 ' O ' ' B' ' 38' ' ' LEU . 89.7 t -62.15 -45.45 98.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.381 . . . . 15.0 110.174 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . 0.533 ' HH ' ' HA ' ' B' ' 24' ' ' HIS . 16.1 m-30 -69.98 -31.08 68.6 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -65.19 -38.58 90.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.538 0.685 . . . . 15.0 109.321 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.76 -43.07 69.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.915 -1.038 . . . . 15.0 110.454 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.43 -23.51 56.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.91 -0.586 . . . . 15.0 112.398 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -36.88 85.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.011 0.434 . . . . 15.0 110.477 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 -92.84 -140.14 0.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.615 -0.721 . . . . 15.0 109.106 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -147.42 84.61 1.57 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.211 0.529 . . . . 15.0 110.168 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mp -120.6 151.34 39.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.647 -0.706 . . . . 15.0 109.67 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 27.2 p -92.85 156.94 16.65 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.283 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . 0.432 HG23 HD13 ' B' ' 52' ' ' ILE . 74.6 mt -80.34 131.57 33.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.085 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 5.9 t -91.06 117.09 33.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.129 -0.693 . . . . 15.0 109.129 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -94.31 110.56 22.31 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.214 0.53 . . . . 15.0 111.461 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.437 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -97.14 115.79 28.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.752 -0.832 . . . . 15.0 108.752 178.769 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 3.7 t70 71.53 -71.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.882 0.739 . . . . 15.0 111.064 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.79 22.66 0.1 OUTLIER Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.899 -0.667 . . . . 15.0 112.011 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' B' ' 59' ' ' PRO . 1.6 t30 -132.47 144.06 51.41 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 110.096 -0.335 . . . . 15.0 110.096 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 12.1 Cg_exo -69.49 122.88 9.63 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.665 2.244 . . . . 15.0 112.78 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -121.83 154.13 37.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.209 -0.663 . . . . 15.0 109.209 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.47 179.63 3.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.132 0.492 . . . . 15.0 111.14 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 25.9 t -119.41 123.22 70.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.606 -0.725 . . . . 15.0 109.456 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 6.4 p -77.78 171.98 14.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.905 0.383 . . . . 15.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.25 -31.72 65.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.652 -0.704 . . . . 15.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -56.93 5.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.866 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 37.1 m -69.59 -17.86 63.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 15.0 112.333 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.0 -48.96 67.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.779 0.323 . . . . 15.0 111.636 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -81.71 -11.47 59.03 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.288 -0.415 . . . . 15.0 111.617 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -72.46 -51.87 18.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.512 -0.313 . . . . 15.0 111.475 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.425 -0.798 . . . . 15.0 110.88 -178.443 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo . . . . . 0 C--O 1.233 0.234 0 CA-C-O 121.198 0.416 . . . . 15.0 112.71 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -93.35 -5.22 50.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.833 -0.621 . . . . 15.0 110.975 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -115.2 133.15 56.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.105 0.479 . . . . 15.0 110.591 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.511 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 4.4 tp -53.22 -51.2 77.48 Favored Pre-proline 0 CA--C 1.538 0.515 0 N-CA-C 113.739 1.015 . . . . 15.0 113.739 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 7.7 Cg_endo -51.69 -37.97 65.41 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 122.214 1.943 . . . . 15.0 112.856 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -73.68 -36.53 65.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.477 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.22 -35.06 79.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.864 -0.607 . . . . 15.0 111.117 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.5 m -54.49 -37.12 64.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.099 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -42.81 73.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.427 -0.352 . . . . 15.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.72 -33.81 75.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.974 0.416 . . . . 15.0 110.753 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -85.24 -3.83 58.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.757 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 56.95 57.11 4.85 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.853 -0.612 . . . . 15.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 15.3 t -158.67 -175.12 5.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.137 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.16 169.6 9.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.593 -0.276 . . . . 15.0 110.766 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.0 mt -67.38 -7.65 6.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.487 0.661 . . . . 15.0 111.449 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -95.96 -9.38 31.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.202 -0.454 . . . . 15.0 110.65 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.404 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 22.5 t70 -123.52 -30.51 3.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 15.0 111.989 -178.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 tt -57.54 126.04 14.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.511 0.672 . . . . 15.0 111.834 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.8 mm -125.44 120.07 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.468 -0.787 . . . . 15.0 109.719 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mp -118.38 160.87 20.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.315 -0.402 . . . . 15.0 110.382 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -110.43 156.82 20.29 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.344 -0.389 . . . . 15.0 110.352 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 41.1 t -68.29 140.09 55.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.967 0.413 . . . . 15.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.13 -31.66 54.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.439 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -105.79 -49.95 3.29 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.22 0.452 . . . . 15.0 112.22 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 m -77.19 -23.77 51.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.612 0.227 . . . . 15.0 111.612 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER 61.05 24.12 14.25 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.129 0.49 . . . . 15.0 110.954 -179.54 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -88.61 156.37 19.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.868 -0.606 . . . . 15.0 109.788 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.419 HE21 ' HB3' ' A' ' 36' ' ' GLN . 3.3 mt-30 -77.13 119.89 21.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.977 0.417 . . . . 15.0 111.064 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -86.47 112.99 22.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.83 -0.623 . . . . 15.0 109.878 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.62 158.87 26.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.758 -0.46 . . . . 15.0 109.758 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -54.08 -21.07 7.59 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.859 0.318 . . . . 15.0 111.859 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -59.92 -47.28 86.44 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 110.133 -0.321 . . . . 15.0 110.133 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -75.95 -30.77 58.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 15.0 109.71 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.9 t -59.39 -41.22 83.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.312 -0.858 . . . . 15.0 110.305 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -64.67 -42.25 95.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.16 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.21 -30.26 70.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.93 -0.577 . . . . 15.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -65.24 -34.79 79.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.874 -0.603 . . . . 15.0 110.156 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.0 -35.0 22.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.937 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -69.66 -37.23 76.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.832 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 48' ' ' ARG . 65.6 mtt180 -93.91 175.59 6.66 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.662 -0.496 . . . . 15.0 109.662 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -100.61 82.24 2.42 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.265 0.555 . . . . 15.0 109.667 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.6 mt -118.62 156.83 28.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.061 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.39 148.43 40.67 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.11 -0.495 . . . . 15.0 109.988 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 12' ' ' LEU . 55.4 mt -80.29 137.55 21.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.874 -0.603 . . . . 15.0 110.752 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.22 115.23 48.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.587 -0.733 . . . . 15.0 109.841 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -93.12 110.21 21.7 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.966 -0.383 . . . . 15.0 109.966 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -91.67 111.69 23.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.764 -0.653 . . . . 15.0 109.919 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 t0 65.18 27.23 12.31 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.882 0.739 . . . . 15.0 111.005 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.37 31.23 47.1 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.741 -0.742 . . . . 15.0 112.552 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.408 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 2.1 m-20 -124.86 143.88 45.13 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 109.863 -0.421 . . . . 15.0 109.863 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 16.9 Cg_exo -66.28 105.86 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.611 2.207 . . . . 15.0 112.446 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -125.6 154.72 41.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.44 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.83 179.39 5.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.211 -0.449 . . . . 15.0 110.328 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -105.92 118.35 53.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.561 -0.533 . . . . 15.0 109.561 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 30.2 p -73.1 175.58 6.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.321 0.581 . . . . 15.0 111.568 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.67 -24.92 67.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.294 -0.866 . . . . 15.0 110.698 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -80.0 -57.42 3.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.882 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.5 m -68.49 -17.43 64.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 15.0 112.186 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.382 0 N-CA-C 112.324 0.49 . . . . 15.0 112.324 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.908 0.385 . . . . 15.0 110.607 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -63.39 159.6 39.25 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.158 1.905 . . . . 15.0 112.064 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -86.03 3.24 43.2 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.154 -0.475 . . . . 15.0 111.171 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -114.37 127.98 56.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.36 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 16.0 tp -51.65 -52.23 62.46 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 113.329 0.862 . . . . 15.0 113.329 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.8 Cg_endo -55.34 -37.6 94.47 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.186 1.924 . . . . 15.0 113.147 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -78.54 -32.06 47.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.998 0.427 . . . . 15.0 110.701 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -66.23 -35.49 80.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 15.0 109.936 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 61.2 m -62.17 -36.69 82.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.786 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.76 -40.28 84.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.462 -0.336 . . . . 15.0 110.725 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.42 -36.16 82.12 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.245 0.545 . . . . 15.0 109.865 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.67 -6.6 52.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.473 -0.785 . . . . 15.0 110.552 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 59.6 43.02 16.39 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.652 -0.704 . . . . 15.0 110.612 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -149.17 -172.2 4.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.519 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.0 p -112.91 172.5 6.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.821 0.343 . . . . 15.0 111.168 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 19.7 mt -68.96 -18.18 22.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.262 0.553 . . . . 15.0 110.682 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -80.13 -20.43 44.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.875 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -109.24 -19.88 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.019 0.378 . . . . 15.0 112.019 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 16.8 tt -63.74 135.36 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.267 0.556 . . . . 15.0 111.07 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 mm -124.22 128.51 73.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.619 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mp -133.04 160.1 38.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.265 -0.643 . . . . 15.0 109.265 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -116.17 157.71 24.4 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.646 -0.131 . . . . 15.0 110.646 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 46.7 t -67.34 136.95 55.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.126 0.488 . . . . 15.0 110.764 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.416 HG23 ' HG2' ' B' ' 55' ' ' ARG . 6.5 p -67.63 -24.13 30.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.375 -0.829 . . . . 15.0 111.606 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -108.05 -49.86 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.032 0.382 . . . . 15.0 112.032 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 2.9 m -80.7 -21.73 40.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.818 0.303 . . . . 15.0 111.818 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 64.12 19.15 11.64 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.124 0.487 . . . . 15.0 111.109 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -88.35 145.9 25.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.057 -0.52 . . . . 15.0 109.846 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -70.01 121.61 17.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.988 0.423 . . . . 15.0 110.635 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -83.54 120.72 26.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.557 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.403 ' O ' HG22 ' B' ' 42' ' ' VAL . 39.2 mt -71.69 157.63 37.6 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.171 -0.677 . . . . 15.0 109.171 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.35 -24.22 18.55 Favored 'General case' 0 C--O 1.225 -0.235 0 O-C-N 123.016 0.198 . . . . 15.0 111.18 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -58.13 -43.48 87.27 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.943 0.401 . . . . 15.0 110.214 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.4 -34.09 31.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.75 -0.659 . . . . 15.0 109.809 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.403 HG22 ' O ' ' B' ' 38' ' ' LEU . 52.7 t -60.9 -37.6 77.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.673 -0.694 . . . . 15.0 110.254 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -64.97 -42.24 94.74 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.626 -0.509 . . . . 15.0 109.626 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -64.43 -39.03 93.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.696 -0.684 . . . . 15.0 109.889 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -64.31 -35.53 81.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.372 -0.831 . . . . 15.0 110.922 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.07 -26.17 29.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.266 -0.424 . . . . 15.0 111.226 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -69.99 -38.07 75.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.139 0.495 . . . . 15.0 110.059 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -87.14 -177.67 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.699 -0.682 . . . . 15.0 109.198 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -109.99 85.67 2.15 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -125.15 163.35 22.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.749 -0.659 . . . . 15.0 110.697 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 13.1 m -109.8 152.66 25.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.653 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 53.6 mt -84.63 122.76 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.086 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 17.0 t -90.66 113.68 26.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.112 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -92.97 109.06 20.5 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.955 0.407 . . . . 15.0 110.591 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.416 ' HG2' HG23 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -80.93 108.41 14.58 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 108.803 -0.814 . . . . 15.0 108.803 179.324 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 20.4 t70 69.79 -76.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 124.066 0.854 . . . . 15.0 110.539 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.1 32.48 0.37 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.082 -0.58 . . . . 15.0 112.273 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -133.6 137.1 28.09 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.234 -0.284 . . . . 15.0 110.234 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.63 114.81 2.22 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.824 2.35 . . . . 15.0 112.516 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -127.29 148.32 50.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.011 -0.54 . . . . 15.0 109.837 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.33 177.16 5.29 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.549 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 3.6 t -111.15 122.41 65.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.709 -0.478 . . . . 15.0 109.709 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.45 168.99 16.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.792 0.33 . . . . 15.0 110.585 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.37 -29.52 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.657 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -69.33 -57.72 4.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 15.0 110.607 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 58.8 m -66.6 -23.41 66.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.0 -0.545 . . . . 15.0 111.904 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.48 -39.48 80.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.17 0.51 . . . . 15.0 111.577 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -82.65 -25.91 32.66 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.209 -0.45 . . . . 15.0 111.036 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -78.74 -42.68 27.52 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.806 0.669 . . . . 15.0 112.806 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.529 -0.748 . . . . 15.0 111.197 -178.64 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 N--CA 1.462 -0.382 0 CA-C-O 120.998 0.333 . . . . 15.0 112.054 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -90.79 4.07 52.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.953 0.406 . . . . 15.0 110.507 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -115.22 127.6 55.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.64 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.546 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 13.1 tp -52.58 -49.08 87.99 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 115.163 -0.926 . . . . 15.0 113.395 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 7.8 Cg_endo -51.68 -34.4 53.44 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.471 2.114 . . . . 15.0 113.072 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -81.09 -36.23 30.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.491 -0.322 . . . . 15.0 110.71 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.34 -35.34 75.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.574 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -59.05 -39.2 81.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.809 -0.632 . . . . 15.0 110.318 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.05 -36.21 74.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 15.0 110.78 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -66.38 -38.33 87.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.603 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 mt -87.77 0.34 55.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 15.0 110.821 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 56.07 51.74 11.49 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.734 -0.666 . . . . 15.0 111.827 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -153.26 -174.69 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.916 -0.401 . . . . 15.0 109.916 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.8 p -111.71 169.26 8.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.852 0.358 . . . . 15.0 111.596 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.8 mt -66.59 -16.38 20.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.835 -0.62 . . . . 15.0 110.708 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -92.87 2.99 56.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.796 -0.638 . . . . 15.0 111.346 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -133.21 -27.34 1.6 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.938 0.348 . . . . 15.0 111.938 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.4 tt -65.33 127.98 27.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.307 0.575 . . . . 15.0 111.009 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 mm -116.91 128.24 74.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.123 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mp -130.17 148.89 52.06 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.882 -0.599 . . . . 15.0 109.967 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -106.56 159.44 16.18 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.118 -0.327 . . . . 15.0 110.118 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 43.4 t -67.25 143.11 56.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.163 0.506 . . . . 15.0 110.673 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.54 -29.25 37.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.822 -0.626 . . . . 15.0 111.231 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -105.41 -45.57 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.089 0.403 . . . . 15.0 112.089 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.5 m -83.07 -23.85 32.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.682 0.277 . . . . 15.0 111.609 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 5.2 mptt 63.21 20.76 12.47 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.049 -0.523 . . . . 15.0 111.222 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -87.81 144.75 26.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.079 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -71.01 113.71 8.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.661 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.51 135.98 52.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.026 0.441 . . . . 15.0 110.188 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.0 mt -74.02 159.75 32.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.963 -0.562 . . . . 15.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -53.19 -36.88 61.44 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.194 0.308 . . . . 15.0 111.603 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -65.7 -38.69 89.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.483 -0.326 . . . . 15.0 110.614 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.1 -33.77 76.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.116 0.484 . . . . 15.0 109.732 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 38' ' ' LEU . 26.4 t -67.37 -37.56 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.104 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -67.42 -41.21 85.22 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.015 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.03 -33.68 75.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.522 -0.763 . . . . 15.0 110.221 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -61.92 -32.74 73.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.659 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.13 -25.5 27.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.786 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -50.17 16.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.136 -0.484 . . . . 15.0 109.935 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -80.76 143.75 32.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.135 -0.691 . . . . 15.0 109.135 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -77.53 95.31 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.094 0.474 . . . . 15.0 110.084 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.9 mt -127.15 -179.9 5.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.81 -0.632 . . . . 15.0 110.862 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.7 p -131.32 151.78 51.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.792 -0.64 . . . . 15.0 110.063 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.9 mt -85.37 128.09 39.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.438 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.6 m -102.14 114.57 41.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.242 0.544 . . . . 15.0 110.257 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -94.35 110.2 21.99 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.396 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -84.75 113.53 21.39 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.9 -0.778 . . . . 15.0 108.9 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.59 -81.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 124.013 0.821 . . . . 15.0 110.622 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.75 38.61 0.51 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.067 -0.813 . . . . 15.0 111.067 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -137.16 145.17 49.0 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 110.177 -0.305 . . . . 15.0 110.177 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -74.1 106.67 2.26 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.456 2.104 . . . . 15.0 112.371 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -113.49 154.35 27.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.376 -0.375 . . . . 15.0 110.041 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.61 178.85 4.52 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.915 0.388 . . . . 15.0 110.545 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -117.74 119.41 61.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.308 -0.627 . . . . 15.0 109.308 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.7 p -73.7 169.78 16.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.083 -0.34 . . . . 15.0 110.083 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.12 -16.7 54.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.326 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -75.41 -58.8 3.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.277 0.56 . . . . 15.0 110.27 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -72.57 -21.82 61.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.358 -0.837 . . . . 15.0 111.693 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 112.56 0.578 . . . . 15.0 112.56 -179.617 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.412 ' HB3' ' CZ ' ' B' ' 54' ' ' TYR . 37.6 mtt85 . . . . . 0 N--CA 1.466 0.375 0 CA-C-O 120.954 0.407 . . . . 15.0 111.899 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -76.34 163.89 31.71 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 122.565 2.177 . . . . 15.0 111.952 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -98.24 -1.09 42.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -108.67 135.13 50.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.564 0.221 . . . . 15.0 110.794 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.47 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 54.4 tp -55.75 -52.3 73.26 Favored Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 112.559 0.578 . . . . 15.0 112.559 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.2 Cg_endo -56.18 -38.09 95.5 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 122.005 1.803 . . . . 15.0 112.288 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -66.39 -39.35 88.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 15.0 110.571 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.8 tp -66.57 -34.52 78.08 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.36 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.4 m -61.27 -38.15 85.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.478 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -30.92 67.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 15.0 110.767 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -65.48 -40.39 93.04 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.126 0.488 . . . . 15.0 110.091 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 13.8 mt -85.28 -4.19 59.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.511 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 60.03 52.41 5.2 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.496 -0.775 . . . . 15.0 111.093 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.1 t -150.39 -173.46 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.585 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 34.5 p -102.98 167.26 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 15.0 111.495 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.73 -25.74 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.769 -0.65 . . . . 15.0 110.882 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -89.3 8.56 29.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.261 -0.427 . . . . 15.0 111.091 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -128.1 -31.54 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.977 -0.289 . . . . 15.0 111.697 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 13.6 tt -58.88 117.58 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.285 0.564 . . . . 15.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -92.02 108.89 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.077 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tp -109.61 153.37 24.3 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.437 ' HG3' ' CD1' ' B' ' 60' ' ' TYR . 5.8 pt-20 -116.62 149.88 38.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.245 -0.434 . . . . 15.0 110.794 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 40.5 m -66.44 136.37 55.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.772 0.32 . . . . 15.0 110.701 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.408 ' HA ' ' CD1' ' B' ' 60' ' ' TYR . 2.8 p -60.59 -43.37 94.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.718 -0.674 . . . . 15.0 112.688 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -102.78 -43.93 5.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.083 0.401 . . . . 15.0 112.083 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.12 -29.77 70.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.472 0.177 . . . . 15.0 111.27 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 tptp 59.07 44.68 15.74 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.425 0.631 . . . . 15.0 111.594 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -129.11 169.18 15.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.991 -0.744 . . . . 15.0 108.991 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -76.17 122.93 25.05 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.987 -0.285 . . . . 15.0 110.488 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.29 134.32 56.84 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.532 ' HB2' ' OE1' ' B' ' 41' ' ' GLU . 89.2 mt -70.61 150.24 46.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.755 0.312 . . . . 15.0 110.755 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -52.09 -41.47 62.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.646 -0.706 . . . . 15.0 112.172 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -72.09 -33.04 67.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.458 -0.337 . . . . 15.0 111.048 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.532 ' OE1' ' HB2' ' B' ' 38' ' ' LEU . 2.7 mp0 -67.43 -33.15 74.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.995 0.426 . . . . 15.0 110.768 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 38' ' ' LEU . 33.5 t -60.97 -34.4 59.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.966 -0.561 . . . . 15.0 110.033 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -63.64 -39.67 94.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.724 -0.671 . . . . 15.0 111.238 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.98 -37.15 86.36 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.984 0.421 . . . . 15.0 110.201 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -64.3 -34.09 77.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.651 -0.704 . . . . 15.0 110.713 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.69 -12.97 46.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.181 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.01 -51.82 5.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 15.0 110.738 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -101.79 179.12 4.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.979 -0.555 . . . . 15.0 111.013 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -104.93 97.75 7.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.94 0.4 . . . . 15.0 110.144 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mp -106.95 -29.36 9.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.997 -0.547 . . . . 15.0 111.145 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 49.4 t 73.93 142.27 0.07 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.923 0.764 . . . . 15.0 110.66 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 25.6 mt -80.34 123.95 37.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.902 0.382 . . . . 15.0 110.716 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 m -93.22 124.82 45.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.468 -0.568 . . . . 15.0 109.468 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.412 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 71.5 m-85 -105.71 109.66 21.7 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.145 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.478 ' C ' ' H ' ' B' ' 57' ' ' GLY . 5.0 mmm180 -100.11 119.12 37.83 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.833 -0.802 . . . . 15.0 108.833 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t70 74.27 -34.97 0.29 Allowed 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.749 0.656 . . . . 15.0 110.815 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' B' ' 55' ' ' ARG . . . 147.57 -2.09 0.76 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.515 -0.634 . . . . 15.0 111.515 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -97.16 141.04 22.45 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 110.056 -0.35 . . . . 15.0 110.056 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.57 114.2 3.76 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.478 2.119 . . . . 15.0 112.199 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . 0.437 ' CD1' ' HG3' ' B' ' 29' ' ' GLU . 58.0 m-85 -112.81 155.3 24.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 15.0 110.02 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.99 163.21 13.33 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.117 -0.492 . . . . 15.0 111.015 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 20.0 t -119.7 112.32 36.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.07 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 3.4 p -92.36 173.09 7.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.662 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -60.12 -26.25 66.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.485 0.66 . . . . 15.0 109.385 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 1.3 mtpt -66.34 -51.54 56.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.016 -0.993 . . . . 15.0 109.945 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 78.0 m -65.51 -37.02 85.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.74 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.3 -41.04 96.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 15.0 111.841 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 14.7 pttp -80.58 -22.56 40.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 15.0 110.787 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -76.97 -47.7 20.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 15.0 111.714 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.27 -0.871 . . . . 15.0 110.61 -179.032 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 N--CA 1.462 -0.355 0 N-CA-C 111.38 -0.277 . . . . 15.0 111.38 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -94.17 6.27 49.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.964 0.411 . . . . 15.0 111.114 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -120.45 136.47 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.331 0.586 . . . . 15.0 110.757 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.551 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.7 tp -56.4 -50.54 87.08 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 114.848 -1.069 . . . . 15.0 113.857 -178.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.1 Cg_endo -48.38 -46.59 22.75 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.829 2.353 . . . . 15.0 113.897 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -77.66 -31.22 52.47 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.67 0.248 . . . . 15.0 111.67 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.35 -35.52 79.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 15.0 110.711 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 m -60.36 -40.03 89.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.108 -0.497 . . . . 15.0 110.712 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.62 94.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 15.0 111.12 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.43 -32.86 74.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.029 0.443 . . . . 15.0 110.096 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.17 -2.68 56.11 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.919 -0.582 . . . . 15.0 109.963 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 60.4 31.96 20.49 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.212 -0.904 . . . . 15.0 111.521 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 t -138.28 179.39 6.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.872 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 p -99.31 171.42 7.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.016 0.436 . . . . 15.0 111.383 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.6 mt -68.22 -14.98 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.575 0.703 . . . . 15.0 110.399 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -86.51 -15.79 38.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.653 -0.703 . . . . 15.0 111.392 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -111.97 -23.59 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.86 0.319 . . . . 15.0 111.86 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.6 tt -64.35 121.98 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.483 0.659 . . . . 15.0 111.445 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -115.57 123.97 71.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.832 -0.622 . . . . 15.0 110.072 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.23 152.06 38.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.408 -0.36 . . . . 15.0 110.521 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.75 153.4 23.52 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.105 -0.331 . . . . 15.0 110.105 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.62 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 49.7 t -68.14 145.11 54.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.151 0.501 . . . . 15.0 111.153 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.26 -27.5 10.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.823 -0.626 . . . . 15.0 111.3 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -88.63 -62.44 1.49 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.356 0.502 . . . . 15.0 112.356 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.451 ' SG ' ' NZ ' ' A' ' 65' ' ' LYS . 1.7 p -89.61 -9.07 51.09 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.111 0.411 . . . . 15.0 112.111 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.62 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 7.1 mptt 61.5 29.24 18.28 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.248 -0.433 . . . . 15.0 111.602 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -85.32 149.1 25.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.599 -0.273 . . . . 15.0 110.43 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -80.22 113.65 18.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.827 -0.435 . . . . 15.0 109.827 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -78.26 131.53 37.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.258 -0.428 . . . . 15.0 111.178 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.6 mt -75.89 154.7 35.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.965 -0.561 . . . . 15.0 109.598 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -54.05 -30.67 48.8 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.279 0.362 . . . . 15.0 111.434 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -56.88 -48.26 78.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.868 -0.605 . . . . 15.0 111.183 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -73.77 -31.16 63.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.022 -0.535 . . . . 15.0 110.422 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.75 -36.6 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.035 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -66.65 -34.29 77.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.819 0.342 . . . . 15.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -25.1 61.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.036 0.446 . . . . 15.0 110.421 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -62.88 -34.87 78.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.661 -0.699 . . . . 15.0 110.129 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.74 -26.97 27.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.728 -0.669 . . . . 15.0 110.611 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -40.6 83.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.698 -0.683 . . . . 15.0 110.732 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -93.94 178.09 5.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 15.0 109.997 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -95.4 93.29 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.129 0.49 . . . . 15.0 109.992 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.9 mt -135.86 159.31 42.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.688 -0.687 . . . . 15.0 110.682 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.0 m -122.75 154.36 38.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.036 -0.529 . . . . 15.0 109.72 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.0 mt -80.79 126.3 39.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.11 0.481 . . . . 15.0 110.846 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.73 124.66 43.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.501 -0.772 . . . . 15.0 109.843 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -103.79 110.07 22.03 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.876 0.37 . . . . 15.0 111.485 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.42 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 4.2 tmm_? -92.85 116.36 28.96 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.731 -0.84 . . . . 15.0 108.731 178.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 23.8 t70 73.67 -60.2 0.54 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.992 0.807 . . . . 15.0 110.675 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.39 28.81 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.367 -0.693 . . . . 15.0 111.367 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -128.16 149.59 71.57 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 109.688 -0.486 . . . . 15.0 109.688 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.63 118.12 5.34 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.539 2.159 . . . . 15.0 112.973 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 55' ' ' ARG . 70.0 m-85 -122.43 158.51 29.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.904 -0.589 . . . . 15.0 109.772 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -122.26 -173.12 2.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.549 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.2 t -129.65 119.17 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.07 -0.514 . . . . 15.0 109.637 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 7.1 p -78.55 171.39 15.18 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.376 -0.231 . . . . 15.0 110.376 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -53.71 -37.17 63.02 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.002 0.371 . . . . 15.0 112.002 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.451 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -65.06 -57.11 9.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.894 0.378 . . . . 15.0 111.275 -179.138 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.0 m -70.84 -20.96 62.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.102 -0.499 . . . . 15.0 111.323 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.034 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 . . . . . 0 C--O 1.234 0.286 0 CA-C-O 121.253 0.549 . . . . 15.0 110.601 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.44 174.45 12.81 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.827 2.351 . . . . 15.0 112.555 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -100.88 -12.3 19.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.352 -0.385 . . . . 15.0 111.742 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -105.57 137.66 43.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.718 0.294 . . . . 15.0 110.934 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.525 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 27.8 tp -56.18 -50.54 86.91 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 115.86 -0.609 . . . . 15.0 112.211 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.7 Cg_endo -53.2 -38.5 81.43 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.149 1.899 . . . . 15.0 112.237 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -71.08 -38.58 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 15.0 110.218 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.83 -36.21 80.51 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.115 -0.493 . . . . 15.0 109.813 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 54.7 m -62.25 -39.95 94.55 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.588 -0.733 . . . . 15.0 110.025 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -65.26 -41.75 93.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.06 -0.518 . . . . 15.0 110.635 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.75 -36.02 82.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 15.0 110.38 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.41 -2.79 54.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.526 . . . . 15.0 110.833 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 62.36 42.2 9.34 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.951 -0.568 . . . . 15.0 111.725 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -147.98 -174.4 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.825 -0.435 . . . . 15.0 109.825 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.43 173.47 6.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.952 0.406 . . . . 15.0 111.444 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 13.0 mt -67.91 -7.35 6.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.842 -0.617 . . . . 15.0 111.266 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -95.46 -0.17 52.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.143 -0.48 . . . . 15.0 111.077 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -132.58 -33.5 1.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.158 0.429 . . . . 15.0 112.158 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.4 tt -58.48 118.78 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.623 0.725 . . . . 15.0 111.624 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 41.8 mm -104.77 111.03 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.531 -0.759 . . . . 15.0 109.933 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tp -109.49 147.25 33.23 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.64 -0.504 . . . . 15.0 109.64 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -102.92 158.55 16.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.653 0.263 . . . . 15.0 110.582 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 36.9 t -77.48 142.8 38.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.256 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 p -75.83 -25.31 17.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.041 -0.527 . . . . 15.0 111.272 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -98.49 -64.13 1.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.684 0.253 . . . . 15.0 111.684 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . 0.419 ' HB2' ' HG2' ' B' ' 35' ' ' GLN . 0.7 OUTLIER -70.24 -22.07 62.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.313 -0.403 . . . . 15.0 111.853 -178.663 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 44.6 mmtm 65.63 24.26 11.65 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.093 0.473 . . . . 15.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.419 ' HG2' ' HB2' ' B' ' 33' ' ' CYS . 0.0 OUTLIER -94.32 149.8 20.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.236 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -80.81 113.25 18.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.654 -0.869 . . . . 15.0 108.654 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -55.77 131.67 47.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.737 -0.665 . . . . 15.0 112.106 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 34.8 mt -73.92 170.22 15.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.352 -0.84 . . . . 15.0 109.859 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -52.46 -45.18 65.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.656 -0.247 . . . . 15.0 111.418 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -62.69 -41.04 98.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.563 -0.29 . . . . 15.0 111.235 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -64.99 -40.89 95.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.797 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.08 -40.36 85.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 121.243 0.544 . . . . 15.0 109.846 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -63.9 -35.72 81.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.517 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.18 -39.97 90.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.041 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.27 -40.63 86.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.832 -0.622 . . . . 15.0 111.129 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.7 -20.73 38.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.916 0.389 . . . . 15.0 111.573 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -77.19 -26.06 52.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.763 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -107.64 173.73 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.501 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -93.53 88.1 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.799 0.809 . . . . 15.0 109.692 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mp -129.17 162.47 27.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.767 -0.652 . . . . 15.0 111.05 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.02 155.28 31.69 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.282 179.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 15.9 mt -79.88 129.34 37.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.98 0.419 . . . . 15.0 110.87 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.2 m -95.31 113.88 30.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.945 -0.57 . . . . 15.0 110.042 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -94.47 109.98 21.81 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.899 -0.591 . . . . 15.0 111.037 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -93.23 104.93 17.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.418 -0.956 . . . . 15.0 108.418 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 9.3 t0 70.24 -71.96 0.12 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.0 0.813 . . . . 15.0 110.562 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.98 17.18 0.38 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.059 -0.816 . . . . 15.0 111.059 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . 0.445 ' HB3' ' CE2' ' B' ' 60' ' ' TYR . 2.3 t-20 -117.27 121.84 31.81 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.544 -0.328 . . . . 15.0 110.803 -179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -74.25 101.59 1.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.577 2.184 . . . . 15.0 111.308 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' B' ' 58' ' ' ASN . 47.7 m-85 -101.18 165.2 11.42 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.777 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.59 174.93 6.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.993 -0.549 . . . . 15.0 110.717 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 20.0 t -118.58 115.92 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.949 -0.569 . . . . 15.0 109.945 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 1.2 p -79.67 173.44 12.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.37 -0.377 . . . . 15.0 111.469 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.24 -36.85 73.81 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.28 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 0.1 OUTLIER -60.28 -49.92 75.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.883 -0.599 . . . . 15.0 110.963 -179.49 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 6.5 m -71.99 -31.09 65.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.983 0.421 . . . . 15.0 110.729 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.16 -41.17 94.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 15.0 112.045 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 11.1 ptmt -67.46 -24.17 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.57 0.224 . . . . 15.0 110.931 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -76.82 -26.27 54.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.344 . . . . 15.0 111.024 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.505 -0.76 . . . . 15.0 111.061 -179.619 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.458 ' HD3' ' OE1' ' A' ' 18' ' ' GLU . 12.2 Cg_exo . . . . . 0 N--CA 1.461 -0.406 0 CA-C-O 120.895 0.29 . . . . 15.0 111.784 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -94.33 -11.25 30.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.942 0.401 . . . . 15.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -109.34 131.13 55.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 15.0 109.919 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.559 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 30.7 tp -52.35 -48.22 90.27 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 113.8 1.037 . . . . 15.0 113.8 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.7 Cg_endo -49.66 -34.46 35.0 Favored 'Trans proline' 0 C--N 1.358 1.048 0 C-N-CA 122.84 2.36 . . . . 15.0 113.999 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -87.83 -30.31 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.104 -0.239 . . . . 15.0 111.347 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 tp -61.99 -37.77 86.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 15.0 110.543 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.488 ' SG ' HG12 ' A' ' 23' ' ' ILE . 23.8 m -62.31 -35.29 78.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.674 -0.694 . . . . 15.0 110.851 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -66.3 -40.59 90.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.461 . . . . 15.0 111.218 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.458 ' OE1' ' HD3' ' A' ' 9' ' ' PRO . 9.2 mt-10 -65.1 -34.73 79.11 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.001 0.429 . . . . 15.0 110.196 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.24 -0.2 51.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.888 -0.596 . . . . 15.0 110.933 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 59.87 37.84 21.52 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.045 -0.525 . . . . 15.0 111.527 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 t -135.63 -175.91 4.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.113 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 p -118.44 164.74 14.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.71 0.291 . . . . 15.0 111.203 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.488 HG12 ' SG ' ' A' ' 16' ' ' CYS . 8.0 mt -73.2 1.53 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 121.767 0.794 . . . . 15.0 110.119 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.498 ' HA ' ' HH ' ' A' ' 43' ' ' TYR . 16.8 m-70 -102.43 1.06 34.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.487 -0.779 . . . . 15.0 110.819 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -136.62 -31.89 0.85 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.68 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.8 tt -64.49 122.08 14.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.514 0.673 . . . . 15.0 111.096 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.2 mm -111.34 106.68 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.971 -0.558 . . . . 15.0 110.192 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.9 156.13 16.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.119 -0.491 . . . . 15.0 109.951 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -107.61 158.32 17.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.147 -0.479 . . . . 15.0 110.085 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 46.1 t -69.35 143.07 53.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.222 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -73.76 -27.78 23.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.333 -0.394 . . . . 15.0 110.711 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -100.54 -57.54 2.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.173 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 m -69.72 -25.59 63.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.645 -0.252 . . . . 15.0 111.123 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 43.0 mttp 59.35 40.0 21.6 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.343 0.592 . . . . 15.0 110.711 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -119.44 152.94 36.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.542 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -70.49 123.67 22.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.887 0.375 . . . . 15.0 111.575 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp -83.89 133.38 34.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.791 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.52 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . 51.2 mt -72.93 157.6 37.11 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.105 -0.702 . . . . 15.0 109.105 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -57.37 -24.84 57.76 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.88 0.326 . . . . 15.0 111.88 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -60.1 -52.56 64.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.883 0.373 . . . . 15.0 110.621 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.52 ' OE1' ' HB2' ' A' ' 38' ' ' LEU . 1.2 pm0 -75.86 -23.84 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.395 -0.366 . . . . 15.0 110.873 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.85 -43.63 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.459 -0.571 . . . . 15.0 109.459 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.498 ' HH ' ' HA ' ' A' ' 24' ' ' HIS . 22.3 m-85 -71.14 -36.96 72.26 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.609 -0.515 . . . . 15.0 109.609 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -62.78 -36.95 84.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.315 -0.857 . . . . 15.0 109.831 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -67.75 -45.17 75.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.334 -0.848 . . . . 15.0 110.338 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.08 -13.18 60.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.728 -0.669 . . . . 15.0 111.829 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -72.45 -27.69 62.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.143 0.497 . . . . 15.0 110.282 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -104.52 162.2 13.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.009 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -81.79 62.27 5.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.465 0.65 . . . . 15.0 110.957 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.7 mt -92.06 174.41 7.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.468 -0.787 . . . . 15.0 109.874 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.5 m -132.96 157.91 43.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.851 0.358 . . . . 15.0 110.651 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.4 HD11 ' HA ' ' A' ' 12' ' ' LEU . 72.8 mt -80.71 134.73 26.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.825 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.8 t -99.32 127.15 52.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.883 -0.784 . . . . 15.0 108.883 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -100.3 109.16 21.36 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.184 0.516 . . . . 15.0 111.435 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 1.5 tmm_? -85.22 105.07 15.65 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.031 -0.729 . . . . 15.0 109.031 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.433 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 9.8 t70 72.47 -57.87 0.61 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.998 0.811 . . . . 15.0 111.432 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.13 34.74 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.536 -0.626 . . . . 15.0 111.536 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -142.64 137.36 15.21 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.687 -0.486 . . . . 15.0 109.687 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -68.02 123.06 10.21 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.764 2.309 . . . . 15.0 113.242 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -126.7 154.0 44.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.641 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.04 -177.08 3.16 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.128 0.489 . . . . 15.0 110.878 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.4 t -115.55 121.01 66.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.485 -0.78 . . . . 15.0 108.988 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 28.4 p -71.6 179.57 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.496 0.665 . . . . 15.0 111.907 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.44 -22.69 65.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.221 -0.9 . . . . 15.0 110.708 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -82.06 -56.68 3.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.513 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 58.4 m -66.83 -16.32 64.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.667 -0.697 . . . . 15.0 112.156 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.235 0.541 . . . . 15.0 112.125 -179.816 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 . . . . . 0 C--O 1.234 0.253 0 CA-C-O 121.208 0.528 . . . . 15.0 110.275 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.36 158.17 54.97 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.661 2.241 . . . . 15.0 112.561 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 -99.57 8.89 44.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.289 -0.414 . . . . 15.0 111.178 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -115.09 133.31 56.15 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.894 -0.409 . . . . 15.0 109.894 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 33.1 tp -54.57 -52.33 70.79 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 113.375 0.88 . . . . 15.0 113.375 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 10.0 Cg_endo -52.7 -39.77 75.53 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.238 1.959 . . . . 15.0 112.912 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -76.0 -33.81 59.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.543 -0.299 . . . . 15.0 110.917 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 tp -65.78 -35.43 80.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.011 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.9 m -59.41 -38.36 80.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.068 0.461 . . . . 15.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -28.82 67.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.05 -0.523 . . . . 15.0 111.7 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -68.71 -29.72 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 15.0 110.987 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.64 12.05 35.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 15.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 53.94 51.47 14.69 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.174 -0.466 . . . . 15.0 111.545 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -148.81 -176.72 5.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.667 0.27 . . . . 15.0 110.774 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.65 172.03 7.63 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.3 mt -56.62 -43.35 78.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 15.0 111.784 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.17 51.82 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.773 0.32 . . . . 15.0 111.569 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -168.86 -39.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.527 . . . . 15.0 110.069 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.3 tt -72.01 129.52 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.06 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 mm -113.73 131.67 64.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.314 -0.403 . . . . 15.0 111.252 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -122.76 149.69 43.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.93 -0.577 . . . . 15.0 109.82 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.33 156.62 16.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.199 -0.297 . . . . 15.0 110.199 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . 0.588 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 6.6 t -70.18 145.03 51.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.381 -0.372 . . . . 15.0 110.375 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.51 -31.59 54.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.501 -0.318 . . . . 15.0 111.422 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.425 ' HD2' ' SG ' ' B' ' 66' ' ' CYS . 35.2 m-85 -102.97 -71.92 0.71 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.674 0.25 . . . . 15.0 111.674 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 23.3 m -63.17 -27.48 69.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.09 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.588 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 40.9 mttp 63.85 29.64 14.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.626 -0.715 . . . . 15.0 111.207 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -80.14 150.49 30.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.169 -0.678 . . . . 15.0 109.169 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -77.59 103.79 7.74 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.112 -0.329 . . . . 15.0 110.112 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -61.58 122.91 16.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 15.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.478 ' O ' HG22 ' B' ' 42' ' ' VAL . 51.6 mt -73.24 168.26 19.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.666 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -54.13 -28.92 42.91 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.264 -0.426 . . . . 15.0 111.966 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' B' ' 40' ' ' ARG . 6.6 ttp85 -68.62 -47.22 67.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.763 0.316 . . . . 15.0 110.47 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -65.57 -41.96 92.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 15.0 110.332 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.478 HG22 ' O ' ' B' ' 38' ' ' LEU . 40.0 t -62.97 -38.41 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 115.914 -0.585 . . . . 15.0 110.503 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -39.6 86.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.004 -0.544 . . . . 15.0 110.553 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -36.5 82.03 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.559 -0.534 . . . . 15.0 109.559 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -68.14 -46.0 72.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.467 -0.788 . . . . 15.0 110.433 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.85 -15.53 62.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.43 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -67.52 -19.87 65.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.919 0.39 . . . . 15.0 111.455 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -133.8 175.63 9.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.144 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -92.53 86.09 5.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.31 0.576 . . . . 15.0 110.143 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 mt -112.83 147.68 36.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.706 -0.679 . . . . 15.0 110.38 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.21 141.14 28.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.836 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 64.7 mt -80.59 136.16 23.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.055 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.2 m -90.49 123.78 42.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.228 0.537 . . . . 15.0 110.195 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -99.2 111.98 24.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.141 -0.481 . . . . 15.0 110.673 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.48 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -97.81 109.99 22.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.053 -0.721 . . . . 15.0 109.053 179.237 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 21.3 t70 75.9 -39.78 0.38 Allowed 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.91 0.757 . . . . 15.0 111.54 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.18 -19.12 0.1 Allowed Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.517 -0.633 . . . . 15.0 111.517 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -85.81 141.39 35.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 110.297 -0.26 . . . . 15.0 110.297 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.81 110.49 3.09 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.428 2.085 . . . . 15.0 111.979 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -108.29 152.51 24.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.066 -0.516 . . . . 15.0 110.157 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.87 165.18 11.64 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.084 0.469 . . . . 15.0 111.276 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 t -102.78 112.09 34.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.52 -0.764 . . . . 15.0 109.135 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 17.9 p -75.9 176.0 8.27 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.164 0.507 . . . . 15.0 111.679 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.25 -34.57 68.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.279 -0.873 . . . . 15.0 110.928 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -68.75 -55.29 11.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.758 -0.656 . . . . 15.0 110.993 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . 0.425 ' SG ' ' HD2' ' B' ' 32' ' ' TYR . 36.2 m -70.27 -24.25 63.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.092 -0.504 . . . . 15.0 112.197 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.2 -47.65 82.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 15.0 111.781 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.468 ' H ' ' HG2' ' B' ' 68' ' ' LYS . 2.9 ptpt -80.38 -23.83 40.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.163 -0.471 . . . . 15.0 111.398 -178.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -78.64 -43.96 24.94 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.309 0.485 . . . . 15.0 112.309 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 119.001 -0.523 . . . . 15.0 110.995 -179.28 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo . . . . . 0 CA--C 1.53 0.276 0 CA-C-O 120.59 0.163 . . . . 15.0 111.704 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -108.55 7.33 26.7 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.056 0.391 . . . . 15.0 112.056 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -119.81 139.45 52.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.609 -0.269 . . . . 15.0 111.195 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 30.8 tp -57.68 -53.16 68.57 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 116.027 -0.533 . . . . 15.0 112.426 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.2 Cg_endo -55.42 -39.31 91.76 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.979 1.786 . . . . 15.0 112.065 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -71.08 -43.62 67.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 15.0 110.353 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.8 tp -58.1 -46.41 85.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.032 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.8 m -59.1 -45.91 89.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.033 0.444 . . . . 15.0 110.267 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.1 m -62.04 -42.33 99.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.736 -0.665 . . . . 15.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.65 -29.83 68.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.937 0.398 . . . . 15.0 110.823 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.85 -0.12 37.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.854 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 65.82 32.34 8.85 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.883 -0.599 . . . . 15.0 110.885 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.519 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 14.1 t -140.65 -170.03 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.386 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.5 p -120.05 178.19 4.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.809 0.338 . . . . 15.0 110.652 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -76.23 3.44 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.425 0.631 . . . . 15.0 111.203 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -109.76 2.18 19.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.266 -0.425 . . . . 15.0 110.209 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.519 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 33.9 t70 -132.92 -19.61 2.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 15.0 111.664 -178.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.0 tt -59.9 131.76 24.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 121.198 0.523 . . . . 15.0 111.282 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.8 mm -103.02 108.44 24.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.927 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -127.42 146.52 50.45 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.992 -0.374 . . . . 15.0 109.992 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.465 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 5.2 pt-20 -116.91 162.2 18.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.852 0.358 . . . . 15.0 111.213 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 45.1 t -70.02 144.03 52.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.668 . . . . 15.0 111.043 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 7.5 p -78.51 -24.34 13.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.407 -0.815 . . . . 15.0 110.958 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -100.64 -44.0 5.98 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.001 0.371 . . . . 15.0 112.001 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.5 m -88.8 -19.56 25.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.288 0.477 . . . . 15.0 112.288 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.4 tptp 61.13 31.91 19.65 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.798 0.809 . . . . 15.0 109.929 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.68 135.58 53.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.184 -0.916 . . . . 15.0 109.898 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.465 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 24.4 mp0 -60.43 131.8 51.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.905 0.383 . . . . 15.0 111.088 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -80.4 148.4 30.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.957 -0.565 . . . . 15.0 110.429 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.628 ' HB2' ' OE2' ' A' ' 41' ' ' GLU . 78.2 mt -86.77 162.77 17.66 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.539 -0.541 . . . . 15.0 109.539 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -57.93 -20.51 38.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.906 0.706 . . . . 15.0 112.906 -178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.409 ' H ' ' HG3' ' A' ' 40' ' ' ARG . 1.9 mtm180 -73.02 -52.17 15.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.931 0.396 . . . . 15.0 110.846 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.628 ' OE2' ' HB2' ' A' ' 38' ' ' LEU . 1.7 pm0 -70.26 -26.37 63.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.154 -0.475 . . . . 15.0 110.787 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 38' ' ' LEU . 82.7 t -64.72 -36.65 78.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 108.727 -0.842 . . . . 15.0 108.727 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -64.76 -41.63 95.74 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.457 -0.792 . . . . 15.0 109.435 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -61.09 -38.0 84.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.382 -0.827 . . . . 15.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -62.41 -35.49 79.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.49 -23.35 24.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.28 -0.418 . . . . 15.0 111.406 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -76.15 -27.19 56.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.263 0.554 . . . . 15.0 110.556 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -107.16 165.33 11.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.187 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -84.48 93.22 8.27 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.489 -0.56 . . . . 15.0 109.489 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.7 mt -140.99 157.57 45.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.972 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.9 m -116.96 160.78 20.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.763 -0.653 . . . . 15.0 109.658 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.9 mt -81.21 135.89 24.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.667 0.27 . . . . 15.0 110.583 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -91.5 113.56 27.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.081 -0.711 . . . . 15.0 109.081 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -99.61 110.1 22.56 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.243 -0.435 . . . . 15.0 111.509 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' C ' ' H ' ' A' ' 57' ' ' GLY . 36.5 mmm-85 -107.93 118.56 37.06 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 178.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 73.49 -17.93 0.41 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.984 0.802 . . . . 15.0 111.844 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 55' ' ' ARG . . . 132.41 -7.71 5.32 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.844 -0.693 . . . . 15.0 112.292 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.43 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 41.5 m-80 -94.12 145.32 29.57 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 110.334 -0.247 . . . . 15.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 5.2 Cg_exo -78.31 113.69 3.41 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.643 2.228 . . . . 15.0 112.285 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.402 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 78.3 m-85 -116.96 140.67 49.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.043 0.449 . . . . 15.0 110.304 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -108.77 179.98 4.03 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 4.4 t -121.72 117.75 53.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.053 -0.721 . . . . 15.0 109.053 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.59 173.35 9.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.961 0.41 . . . . 15.0 111.146 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -54.99 -37.03 66.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.61 -0.723 . . . . 15.0 111.773 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -59.35 5.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.862 -0.608 . . . . 15.0 112.033 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.455 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -71.81 -27.64 63.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.433 0.531 . . . . 15.0 112.433 -178.243 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.329 -0.324 0 N-CA-C 112.148 0.425 . . . . 15.0 112.148 -179.801 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 120.512 0.196 . . . . 15.0 110.484 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.6 176.95 9.42 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.49 2.127 . . . . 15.0 112.294 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 60.5 mmt-85 -108.12 0.96 21.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.273 -0.421 . . . . 15.0 110.373 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -99.82 119.9 38.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.758 -0.655 . . . . 15.0 109.946 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 22.5 tp -55.76 -50.67 85.76 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 112.855 0.687 . . . . 15.0 112.855 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.3 Cg_endo -54.83 -34.54 85.64 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.222 1.948 . . . . 15.0 112.856 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -83.15 -29.67 28.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.321 . . . . 15.0 110.708 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.8 tp -63.38 -35.49 80.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.271 0.558 . . . . 15.0 110.024 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 35.2 m -63.55 -40.14 96.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.707 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -60.37 -39.61 87.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.316 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.73 -22.99 62.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.137 0.494 . . . . 15.0 111.058 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.0 mt -96.58 5.05 51.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.951 -0.568 . . . . 15.0 110.286 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 59.56 37.13 22.82 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.693 -0.685 . . . . 15.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.435 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 14.6 t -140.61 -171.7 3.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.165 -0.47 . . . . 15.0 110.789 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.9 p -126.49 177.77 6.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.46 -0.337 . . . . 15.0 110.633 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 10.3 mt -71.53 -7.13 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.648 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.411 ' CD2' ' HH ' ' B' ' 43' ' ' TYR . 19.0 m170 -96.11 -8.5 33.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 15.0 111.191 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.435 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 13.6 t70 -124.42 -36.97 2.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.018 0.377 . . . . 15.0 112.018 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -47.7 129.05 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 121.192 0.52 . . . . 15.0 111.668 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.484 HG23 HD12 ' B' ' 27' ' ' ILE . 31.8 mm -106.55 116.27 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.704 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mp -123.33 144.56 49.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 15.0 109.399 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -110.7 164.88 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.499 -0.319 . . . . 15.0 110.16 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . 0.465 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 52.8 t -67.79 140.16 56.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.327 . . . . 15.0 110.518 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.8 p -71.96 -20.42 20.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.469 -0.332 . . . . 15.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -104.3 -51.19 3.17 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.991 0.367 . . . . 15.0 111.991 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 57.3 m -82.98 -24.61 32.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.688 -0.233 . . . . 15.0 111.533 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 2.4 mptm? 65.34 21.71 11.97 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.711 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -98.12 154.53 17.67 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.627 -0.508 . . . . 15.0 109.627 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -64.39 127.92 33.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.894 0.378 . . . . 15.0 111.161 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.48 142.43 37.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.64 . . . . 15.0 110.963 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.467 ' O ' HG21 ' B' ' 42' ' ' VAL . 45.4 mt -72.95 142.29 47.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.921 -0.77 . . . . 15.0 108.921 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -54.1 -34.94 61.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 15.0 111.497 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -62.28 -41.29 98.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 15.0 110.97 179.288 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -72.95 -27.77 62.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.345 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.467 HG21 ' O ' ' B' ' 38' ' ' LEU . 60.2 t -63.04 -34.55 67.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 109.385 -0.598 . . . . 15.0 109.385 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . 0.483 ' O ' ' HB2' ' B' ' 47' ' ' PHE . 25.7 m-85 -68.97 -37.03 78.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.062 179.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -66.29 -39.35 89.32 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.333 0.587 . . . . 15.0 109.793 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -61.86 -42.37 98.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.38 -0.827 . . . . 15.0 110.642 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.29 -13.05 53.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 15.0 111.226 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . 0.483 ' HB2' ' O ' ' B' ' 43' ' ' TYR . 11.1 t80 -77.52 -44.93 27.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.485 . . . . 15.0 109.985 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.431 HH22 ' HB3' ' B' ' 67' ' ' LEU . 6.1 mtt180 -88.38 -160.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.659 -0.7 . . . . 15.0 109.881 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -117.27 89.38 3.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.219 0.533 . . . . 15.0 110.23 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -132.56 138.3 47.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.593 -0.73 . . . . 15.0 109.537 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 56.9 m -91.19 161.35 15.11 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.199 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 65.5 mt -79.36 129.04 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.904 0.383 . . . . 15.0 110.777 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.78 113.83 27.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.619 -0.719 . . . . 15.0 110.014 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -94.88 109.91 21.85 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.56 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.25 102.85 14.89 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.805 -0.813 . . . . 15.0 108.805 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 t0 68.27 -83.91 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.918 -1.037 . . . . 15.0 111.403 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.61 20.26 3.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.441 -0.885 . . . . 15.0 112.809 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -133.21 134.14 23.8 Favored Pre-proline 0 C--N 1.323 -0.572 0 O-C-N 122.535 -0.391 . . . . 15.0 110.988 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.86 122.61 9.26 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.697 2.265 . . . . 15.0 112.558 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -122.84 163.39 20.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.138 -0.483 . . . . 15.0 109.885 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.87 -172.35 2.27 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.163 0.506 . . . . 15.0 110.804 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 6.7 t -115.52 120.76 65.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.756 -0.656 . . . . 15.0 109.576 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 28.2 p -78.83 169.64 17.91 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.118 -0.233 . . . . 15.0 110.728 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -48.48 -37.04 16.34 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.608 0.596 . . . . 15.0 112.608 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.4 -59.69 4.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.618 -0.265 . . . . 15.0 111.45 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -28.11 61.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.459 -0.337 . . . . 15.0 111.762 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.431 ' HB3' HH22 ' B' ' 48' ' ' ARG . 8.4 mt -52.21 -47.3 65.72 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.675 0.62 . . . . 15.0 112.675 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -81.27 -24.85 37.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.61 0.243 . . . . 15.0 111.646 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -78.03 -27.97 48.95 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.416 0.525 . . . . 15.0 112.416 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 117.935 -1.031 . . . . 15.0 111.483 -178.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.23 0.109 0 CA-C-O 120.882 0.284 . . . . 15.0 112.341 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 51' ' ' CYS . 25.4 mmt180 -91.08 -18.82 23.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.303 -0.408 . . . . 15.0 111.13 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -85.16 131.31 34.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.64 0.257 . . . . 15.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.532 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 59.4 tp -56.18 -50.59 86.62 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.972 -0.558 . . . . 15.0 111.961 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.2 Cg_endo -54.98 -35.16 89.21 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.125 1.883 . . . . 15.0 112.338 179.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -69.48 -44.81 70.4 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.396 -0.365 . . . . 15.0 110.604 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.552 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 34.1 tp -57.83 -34.39 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.955 -0.387 . . . . 15.0 109.955 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.8 m -64.26 -49.72 70.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.706 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 p -66.04 -40.45 90.98 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.872 0.367 . . . . 15.0 111.342 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.33 -32.62 71.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.273 -0.422 . . . . 15.0 111.047 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -84.62 -4.31 58.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.862 0.363 . . . . 15.0 110.25 179.341 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 63.46 46.3 4.39 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.466 -0.788 . . . . 15.0 110.823 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.41 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 12.9 t -152.03 -170.7 3.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.999 -0.546 . . . . 15.0 110.447 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -123.73 -179.86 4.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.708 0.289 . . . . 15.0 111.081 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mt -73.08 0.16 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 15.0 111.336 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -105.13 -5.64 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.757 0.313 . . . . 15.0 111.043 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.41 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 31.8 t70 -133.77 -8.77 2.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.963 0.411 . . . . 15.0 111.515 -178.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 tt -63.19 121.36 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.61 0.719 . . . . 15.0 111.545 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.5 mm -84.64 94.66 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.687 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.43 HD21 ' HB1' ' A' ' 61' ' ' ALA . 1.2 tp -122.99 128.19 49.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.728 -0.669 . . . . 15.0 109.641 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -115.37 171.68 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.94 -0.573 . . . . 15.0 110.599 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 39.3 t -67.43 142.26 56.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.321 0.581 . . . . 15.0 111.055 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.43 -20.54 12.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.617 -0.72 . . . . 15.0 110.524 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -101.57 -70.7 0.74 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.674 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.6 m -73.17 -14.38 61.35 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.342 0.497 . . . . 15.0 112.342 -177.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 39.1 mmtm 64.84 22.36 12.5 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.579 0.549 . . . . 15.0 111.784 178.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -88.04 142.95 27.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.626 -0.509 . . . . 15.0 109.626 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -72.54 126.06 28.95 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.184 -0.302 . . . . 15.0 110.184 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.37 145.69 54.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.013 -0.54 . . . . 15.0 111.467 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.558 ' O ' HG21 ' A' ' 42' ' ' VAL . 10.7 tp -82.66 162.0 21.99 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.383 -0.599 . . . . 15.0 109.383 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.452 ' NH1' ' HE2' ' A' ' 43' ' ' TYR . 12.2 ttp85 -47.19 -41.68 18.49 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 122.805 0.442 . . . . 15.0 112.168 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -68.21 -46.51 70.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.618 -0.264 . . . . 15.0 111.659 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.522 ' OE1' ' HB3' ' A' ' 38' ' ' LEU . 9.1 mp0 -58.7 -36.98 75.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.101 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.558 HG21 ' O ' ' A' ' 38' ' ' LEU . 16.3 t -65.74 -38.05 81.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.018 0.437 . . . . 15.0 110.005 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.452 ' HE2' ' NH1' ' A' ' 39' ' ' ARG . 21.6 m-30 -71.4 -33.97 69.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 15.0 109.828 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.89 -30.33 71.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.471 0.653 . . . . 15.0 109.81 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.97 -38.04 72.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.946 -1.025 . . . . 15.0 110.5 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.91 -24.09 59.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.401 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -20.31 60.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.786 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.0 mtt85 -111.93 168.39 9.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.59 -0.277 . . . . 15.0 110.359 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.2 -4.07 58.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.952 0.406 . . . . 15.0 110.797 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.5 109.21 0.47 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.59 -0.732 . . . . 15.0 111.109 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 29.5 p -68.98 -171.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 15.0 111.767 -178.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.7 mt -87.9 140.03 16.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.633 -0.712 . . . . 15.0 109.684 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -103.07 113.55 40.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.412 0.625 . . . . 15.0 109.853 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -94.97 111.51 23.3 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.699 -0.682 . . . . 15.0 111.377 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.39 110.82 23.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.988 -0.745 . . . . 15.0 108.988 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t0 70.09 -73.16 0.1 Allowed 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.972 0.795 . . . . 15.0 110.496 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.39 22.31 0.22 Allowed Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.212 -0.755 . . . . 15.0 111.212 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -118.75 131.81 24.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.473 0.177 . . . . 15.0 111.127 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -76.32 103.24 1.71 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.595 2.196 . . . . 15.0 111.496 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -115.72 168.21 10.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.46 0.648 . . . . 15.0 111.028 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.43 ' HB1' HD21 ' A' ' 28' ' ' LEU . . . -126.39 -168.44 1.86 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.481 -0.781 . . . . 15.0 109.908 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 47.2 t -135.69 120.26 26.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.763 -0.458 . . . . 15.0 109.763 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.61 174.14 10.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.931 0.396 . . . . 15.0 110.862 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -50.87 -33.74 25.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.978 1.103 . . . . 15.0 113.978 -177.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -62.98 1.42 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.748 -0.381 . . . . 15.0 111.697 -177.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.468 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -76.28 -25.78 55.26 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.057 0.391 . . . . 15.0 112.057 -179.132 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 16.7 tp . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 112.762 0.652 . . . . 15.0 112.762 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 120.94 0.4 . . . . 15.0 111.515 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.79 165.06 33.81 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.618 2.212 . . . . 15.0 112.154 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.88 7.61 41.17 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.941 0.348 . . . . 15.0 111.941 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -119.43 131.16 55.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.747 0.308 . . . . 15.0 110.691 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 28.6 tp -54.39 -51.27 79.5 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 113.29 0.848 . . . . 15.0 113.29 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.6 Cg_endo -54.2 -33.98 77.18 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.249 1.966 . . . . 15.0 112.554 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -81.89 -27.49 33.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.712 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.7 tp -68.4 -33.95 75.16 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.582 ' SG ' HG12 ' B' ' 23' ' ' ILE . 39.0 m -61.15 -35.28 76.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.538 -0.755 . . . . 15.0 110.095 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -33.87 76.58 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.722 -0.672 . . . . 15.0 110.659 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.82 -32.77 74.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.329 0.585 . . . . 15.0 109.653 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 mt -88.54 1.67 54.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.446 -0.797 . . . . 15.0 110.088 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 55.76 39.83 30.77 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.66 -0.7 . . . . 15.0 111.033 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -143.45 -173.51 3.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.065 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -105.2 171.94 7.05 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.491 0.186 . . . . 15.0 110.686 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.582 HG12 ' SG ' ' B' ' 16' ' ' CYS . 10.4 mt -68.2 -12.93 16.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.644 0.735 . . . . 15.0 110.145 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -83.28 -5.11 59.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.36 -0.836 . . . . 15.0 111.479 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -128.99 -10.64 4.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.898 0.38 . . . . 15.0 111.834 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 20.5 tt -69.73 134.84 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.268 0.556 . . . . 15.0 110.987 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -117.16 113.45 42.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.576 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -127.88 145.57 50.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.405 -0.361 . . . . 15.0 110.032 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -107.69 160.57 15.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.704 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.65 141.9 57.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.948 0.404 . . . . 15.0 110.779 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 5.2 p -65.04 -33.43 63.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.441 -0.8 . . . . 15.0 112.108 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -110.2 -36.88 5.71 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.714 0.635 . . . . 15.0 112.714 -178.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 m -83.88 -20.77 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.741 0.305 . . . . 15.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 mptt 59.79 24.36 13.33 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.97 -0.559 . . . . 15.0 111.102 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -100.19 139.01 36.48 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.402 -0.592 . . . . 15.0 109.402 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -66.2 125.74 26.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.991 0.424 . . . . 15.0 110.539 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -75.41 129.48 37.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.846 -0.616 . . . . 15.0 110.439 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 54.8 mt -64.21 141.13 58.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.742 -0.466 . . . . 15.0 109.742 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' B' ' 40' ' ' ARG . 0.2 OUTLIER -45.01 -38.96 5.2 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.762 0.652 . . . . 15.0 112.762 -178.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.402 ' N ' ' HG3' ' B' ' 39' ' ' ARG . 13.9 ttp180 -61.8 -48.42 80.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.671 0.272 . . . . 15.0 111.493 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.48 -31.71 70.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 15.0 110.379 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.11 -37.69 74.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.815 -0.63 . . . . 15.0 110.959 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -70.08 -33.92 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 15.0 110.646 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -27.42 63.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.166 0.508 . . . . 15.0 109.856 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -68.02 -37.87 81.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.287 -0.869 . . . . 15.0 110.041 178.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.96 -23.97 30.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.864 -0.607 . . . . 15.0 111.242 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.09 -22.6 60.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.361 0.601 . . . . 15.0 109.763 179.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -102.97 155.14 18.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.507 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -80.8 78.87 7.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.321 0.582 . . . . 15.0 110.909 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mp -114.51 179.59 3.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.02 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 1.1 p -131.18 154.41 48.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.502 -0.317 . . . . 15.0 110.477 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 51.1 mt -82.18 127.67 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.442 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.2 112.88 25.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 116.011 -0.541 . . . . 15.0 109.997 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -94.34 110.9 22.63 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.224 0.535 . . . . 15.0 110.396 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -105.31 107.09 17.9 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.541 -0.754 . . . . 15.0 109.406 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.1 t0 70.08 22.96 5.47 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.655 -0.702 . . . . 15.0 111.013 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.04 -25.74 20.44 Favored Glycine 0 CA--C 1.51 -0.226 0 C-N-CA 120.886 -0.674 . . . . 15.0 113.032 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -75.0 140.76 74.08 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.712 0.291 . . . . 15.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.85 119.78 6.27 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.521 2.147 . . . . 15.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -125.32 155.12 40.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.888 -0.596 . . . . 15.0 109.727 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.93 179.21 4.05 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.187 -0.46 . . . . 15.0 109.986 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 14.1 t -114.7 115.61 50.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.635 -0.505 . . . . 15.0 109.635 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 27.4 p -72.3 170.21 14.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.135 -0.32 . . . . 15.0 110.135 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.538 ' O ' ' HE2' ' B' ' 68' ' ' LYS . 31.3 t70 -57.84 -32.9 68.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.8 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -70.62 -57.09 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.759 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . 0.505 ' HA ' ' HB2' ' B' ' 69' ' ' PHE . 69.3 m -65.66 -26.22 67.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.517 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 0.3 OUTLIER -52.24 -55.0 24.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 15.0 111.316 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.538 ' HE2' ' O ' ' B' ' 64' ' ' ASP . 4.0 pttt -80.98 -12.88 59.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.005 -0.543 . . . . 15.0 111.428 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . 0.505 ' HB2' ' HA ' ' B' ' 66' ' ' CYS . 1.8 m-85 -76.76 -49.02 16.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.755 0.312 . . . . 15.0 111.531 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.428 -0.796 . . . . 15.0 111.408 -178.473 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo . . . . . 0 N--CA 1.46 -0.489 0 CA-C-O 120.753 0.23 . . . . 15.0 111.537 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -88.17 -1.27 57.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.696 -0.229 . . . . 15.0 111.344 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -110.74 130.34 55.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.9 0.381 . . . . 15.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.54 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.6 tp -55.18 -49.57 91.54 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.539 -0.755 . . . . 15.0 112.825 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 9.7 Cg_endo -53.2 -33.74 66.11 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.301 2.001 . . . . 15.0 112.733 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -85.13 -30.5 23.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.574 -0.285 . . . . 15.0 111.01 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.05 -37.82 83.96 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.163 0.506 . . . . 15.0 110.368 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.677 ' SG ' HG12 ' A' ' 23' ' ' ILE . 47.1 m -60.3 -33.95 73.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.49 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.5 m -67.65 -40.41 84.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.136 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.0 -40.4 87.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.607 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.41 -3.5 50.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 15.0 110.942 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 59.57 50.13 7.71 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.93 -0.577 . . . . 15.0 111.334 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -155.15 -174.01 4.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.403 -0.362 . . . . 15.0 110.303 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.8 p -107.74 169.07 8.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 15.0 111.198 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.677 HG12 ' SG ' ' A' ' 16' ' ' CYS . 1.9 mt -75.38 1.71 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.308 0.575 . . . . 15.0 110.643 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -108.0 9.07 28.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.989 -0.55 . . . . 15.0 110.157 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -132.98 -37.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 15.0 111.624 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.6 tt -65.06 128.4 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.509 0.671 . . . . 15.0 112.253 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.1 119.78 62.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.021 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -106.32 160.95 14.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.73 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -118.98 153.88 33.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.014 -0.539 . . . . 15.0 109.666 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 37.9 t -67.43 145.16 55.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.127 0.489 . . . . 15.0 111.271 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.489 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 7.5 p -71.96 -29.84 34.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.62 -0.718 . . . . 15.0 111.664 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -103.37 -46.12 4.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.171 0.434 . . . . 15.0 112.171 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.09 -25.49 36.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.715 0.265 . . . . 15.0 111.715 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.1 mptt 63.5 22.21 13.1 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.192 0.52 . . . . 15.0 111.265 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -95.82 147.43 23.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.0 -0.546 . . . . 15.0 109.788 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -73.31 126.97 31.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.998 0.427 . . . . 15.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.56 138.98 43.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.788 -0.642 . . . . 15.0 109.781 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.7 mt -74.7 157.86 34.55 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.071 -0.513 . . . . 15.0 109.983 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -52.76 -35.01 55.65 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.983 0.42 . . . . 15.0 110.974 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -63.99 -39.99 95.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.348 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.12 -33.22 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 15.0 110.93 -178.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.1 t -57.48 -40.58 75.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.746 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -70.97 -35.04 71.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -67.22 -38.67 85.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.194 0.521 . . . . 15.0 109.783 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -65.84 -35.09 79.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.324 -0.853 . . . . 15.0 110.93 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.93 -33.63 26.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.826 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -69.23 -35.87 76.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.902 0.382 . . . . 15.0 110.669 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -90.14 155.01 19.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.389 -0.597 . . . . 15.0 109.389 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -82.08 79.81 8.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.511 0.672 . . . . 15.0 110.568 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mp -112.79 171.44 7.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.506 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 68.7 m -129.76 149.56 51.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.908 0.385 . . . . 15.0 110.739 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.4 mt -84.2 136.51 22.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.754 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -111.89 119.64 60.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.968 -0.56 . . . . 15.0 109.567 179.441 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -94.78 110.26 22.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.964 0.411 . . . . 15.0 111.163 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -84.17 114.05 21.51 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.613 -0.884 . . . . 15.0 108.613 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.0 t70 71.45 -71.01 0.14 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.024 0.827 . . . . 15.0 110.734 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.07 44.03 0.18 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.305 -0.718 . . . . 15.0 111.305 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -142.33 147.64 44.34 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 110.099 -0.334 . . . . 15.0 110.099 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.85 109.76 2.94 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.333 2.022 . . . . 15.0 112.326 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.489 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 59.8 m-85 -116.58 139.75 50.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.914 -0.585 . . . . 15.0 109.52 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.91 -176.07 2.94 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.352 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 t -115.15 118.15 57.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.034 -0.53 . . . . 15.0 109.575 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 24.6 p -74.02 174.85 8.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.399 -0.364 . . . . 15.0 110.068 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.2 -15.66 63.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.046 0.451 . . . . 15.0 110.206 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 63' ' ' CYS . 3.7 mtpm? -78.63 -57.17 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 15.0 109.752 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 33.8 m -72.95 -15.18 61.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.651 -0.704 . . . . 15.0 111.617 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 5.5 tp . . . . . 0 CA--C 1.536 0.412 0 CA-C-N 115.687 -0.688 . . . . 15.0 112.265 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.458 ' HB3' ' OH ' ' B' ' 54' ' ' TYR . 15.0 mtm180 . . . . . 0 C--O 1.234 0.27 0 CA-C-O 120.908 0.385 . . . . 15.0 111.155 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -65.21 152.18 83.0 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.595 2.197 . . . . 15.0 111.638 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -92.03 18.97 7.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.856 0.36 . . . . 15.0 111.306 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -122.87 128.62 50.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.967 -0.561 . . . . 15.0 109.899 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 7.1 tp -52.49 -51.88 68.73 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 113.864 1.061 . . . . 15.0 113.864 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 7.5 Cg_endo -52.16 -45.57 38.31 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.198 1.932 . . . . 15.0 112.718 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -72.26 -28.65 63.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.753 0.311 . . . . 15.0 111.252 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 tp -69.01 -34.21 74.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 15.0 110.276 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 62.3 m -59.49 -35.28 73.81 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.912 -0.585 . . . . 15.0 110.704 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -30.17 69.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.217 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -71.24 -34.6 70.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.424 0.631 . . . . 15.0 109.792 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 mt -86.7 -1.76 57.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.232 -0.894 . . . . 15.0 110.697 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 60.48 38.64 19.03 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.646 -0.706 . . . . 15.0 111.532 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.408 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 14.8 t -139.62 -169.97 2.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.101 -0.499 . . . . 15.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -115.86 175.58 5.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.491 -0.322 . . . . 15.0 110.885 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 20.9 mt -72.67 -7.46 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.37 0.605 . . . . 15.0 111.263 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -99.31 -4.89 30.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.157 -0.34 . . . . 15.0 110.798 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.408 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 34.3 t70 -129.28 -10.67 4.66 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 111.892 0.331 . . . . 15.0 111.892 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 11.2 tt -65.16 122.2 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.327 0.584 . . . . 15.0 110.915 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.0 mm -106.21 105.82 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.949 -0.569 . . . . 15.0 110.473 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tp -123.32 138.18 54.67 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -97.71 166.2 11.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.99 0.424 . . . . 15.0 111.2 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 41.5 t -73.93 144.07 45.45 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.599 -0.728 . . . . 15.0 109.925 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 p -71.43 -24.52 23.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.758 -0.655 . . . . 15.0 111.13 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.427 ' HB2' ' SG ' ' B' ' 66' ' ' CYS . 26.0 m-85 -108.2 -55.16 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.726 0.269 . . . . 15.0 111.726 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 12.1 m -70.28 -23.2 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 15.0 111.79 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 60.23 30.26 19.71 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.995 0.426 . . . . 15.0 111.637 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -111.57 151.51 28.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.009 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -70.12 127.36 32.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.648 -0.251 . . . . 15.0 110.706 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 mp -77.04 136.42 38.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.297 -0.41 . . . . 15.0 110.036 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' B' ' 41' ' ' GLU . 10.2 mp -81.03 169.68 17.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.948 0.404 . . . . 15.0 110.98 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -56.67 -26.68 57.07 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.912 -0.585 . . . . 15.0 112.379 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -67.91 -52.17 39.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.791 0.329 . . . . 15.0 111.424 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' B' ' 38' ' ' LEU . 1.3 pm0 -71.47 -34.34 70.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.411 -0.359 . . . . 15.0 110.977 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.4 t -61.88 -40.55 87.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.48 -45.71 89.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.582 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . 0.42 ' CG ' HH21 ' B' ' 48' ' ' ARG . 4.5 t0 -59.69 -40.37 87.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.762 -0.654 . . . . 15.0 110.919 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -65.59 -33.46 75.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.84 -0.618 . . . . 15.0 111.478 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.76 -33.78 22.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.776 0.322 . . . . 15.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -69.36 -47.21 65.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.572 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.42 HH21 ' CG ' ' B' ' 44' ' ' ASP . 27.5 mtm180 -90.14 136.3 33.13 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.622 -0.51 . . . . 15.0 109.622 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -71.44 89.78 0.95 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.053 0.454 . . . . 15.0 111.067 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -111.12 -177.88 3.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.751 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 27.9 m -121.7 138.08 54.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 72.9 mt -80.99 132.09 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.306 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 m -91.62 136.04 25.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.049 -0.523 . . . . 15.0 109.669 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' B' ' 59' ' ' PRO . 30.9 m-85 -111.05 110.19 20.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.831 0.348 . . . . 15.0 111.457 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.54 103.16 12.66 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.557 -0.905 . . . . 15.0 108.557 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 68.96 -64.27 0.33 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.223 0.952 . . . . 15.0 110.649 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -155.48 -1.72 0.12 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.965 -0.561 . . . . 15.0 112.298 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -102.42 128.24 28.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.723 0.297 . . . . 15.0 111.381 -179.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.575 ' HB3' ' CE2' ' B' ' 54' ' ' TYR . 60.2 Cg_endo -77.7 116.27 4.0 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.696 2.264 . . . . 15.0 112.177 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -122.91 164.79 17.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.878 0.37 . . . . 15.0 110.149 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.11 169.2 8.7 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.017 0.437 . . . . 15.0 110.791 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 t -104.42 118.76 52.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . 0.67 ' SG ' ' HE3' ' B' ' 65' ' ' LYS . 30.8 p -72.74 172.41 10.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.08 0.467 . . . . 15.0 110.785 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.97 -15.95 62.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.81 -0.632 . . . . 15.0 111.218 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.67 ' HE3' ' SG ' ' B' ' 63' ' ' CYS . 0.0 OUTLIER -81.27 -57.86 3.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.411 . . . . 15.0 110.36 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 6.1 m -69.02 -25.09 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.843 -0.617 . . . . 15.0 111.498 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 2.0 mt -57.42 -38.46 74.38 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.398 -0.365 . . . . 15.0 111.95 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -79.74 -27.18 40.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.841 0.353 . . . . 15.0 110.984 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -76.51 -47.77 21.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.031 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.776 -0.63 . . . . 15.0 110.616 -179.677 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo . . . . . 0 CA--C 1.529 0.262 0 CA-C-O 120.959 0.316 . . . . 15.0 112.804 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.514 ' HA ' ' OH ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -100.08 9.02 43.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.954 -0.567 . . . . 15.0 111.107 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -111.95 131.53 55.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.308 -0.405 . . . . 15.0 110.034 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 57.3 tp -53.57 -52.31 68.14 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.828 0.677 . . . . 15.0 112.828 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.2 Cg_endo -55.14 -45.94 36.77 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.128 1.886 . . . . 15.0 112.407 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -65.91 -38.74 89.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.075 -0.511 . . . . 15.0 110.256 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.4 tp -60.59 -42.52 96.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.231 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.9 m -63.83 -35.83 81.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.009 -0.542 . . . . 15.0 109.933 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.5 m -66.05 -38.87 89.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.414 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -75.22 -28.78 60.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.452 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.3 tp -81.22 -6.65 59.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.006 -0.543 . . . . 15.0 109.549 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 62.82 45.28 5.78 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.164 -0.926 . . . . 15.0 111.483 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -152.61 179.23 8.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.388 -0.369 . . . . 15.0 110.466 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.92 165.95 11.68 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.373 -0.376 . . . . 15.0 110.453 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.0 mt -67.37 -10.33 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.383 0.611 . . . . 15.0 110.801 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -90.7 -3.2 57.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.931 -0.577 . . . . 15.0 110.722 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -124.66 -24.47 4.16 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.645 0.609 . . . . 15.0 112.645 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.1 tt -51.8 118.68 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.547 0.689 . . . . 15.0 111.721 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.7 mm -83.35 98.44 5.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.325 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.405 HD22 ' HB1' ' A' ' 61' ' ' ALA . 1.3 tp -124.52 120.49 32.14 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.173 -0.677 . . . . 15.0 109.173 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -101.16 173.04 6.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.545 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 47.5 t -70.72 142.54 51.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.495 0.664 . . . . 15.0 111.548 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 p -71.57 -25.81 25.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.796 -1.093 . . . . 15.0 110.754 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -107.37 -55.86 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.081 0.4 . . . . 15.0 112.081 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.3 m -68.97 -23.72 64.16 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.874 0.324 . . . . 15.0 111.874 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.0 tptp 62.8 24.94 14.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.113 0.482 . . . . 15.0 110.876 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.04 142.41 36.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.621 -0.511 . . . . 15.0 109.621 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -65.87 132.72 49.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.936 0.398 . . . . 15.0 111.177 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.8 143.79 26.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.48 -0.782 . . . . 15.0 109.924 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.516 ' HB2' ' OE2' ' A' ' 41' ' ' GLU . 54.6 mt -78.68 151.68 32.07 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.008 -0.738 . . . . 15.0 109.008 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HD3' ' OH ' ' A' ' 43' ' ' TYR . 2.3 ptp180 -52.85 -27.57 18.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.772 0.656 . . . . 15.0 112.772 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -63.02 -52.06 64.38 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.64 0.257 . . . . 15.0 111.199 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.516 ' OE2' ' HB2' ' A' ' 38' ' ' LEU . 1.5 pm0 -71.05 -22.93 62.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.52 -0.309 . . . . 15.0 110.929 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 38' ' ' LEU . 79.5 t -64.62 -34.21 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.083 0.468 . . . . 15.0 109.853 178.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.42 ' OH ' ' HD3' ' A' ' 39' ' ' ARG . 17.3 m-85 -61.43 -28.36 69.21 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.627 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 23.8 m-20 -64.45 -32.19 73.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.78 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -33.66 74.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.98 -0.555 . . . . 15.0 110.695 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.45 -37.88 17.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.123 -0.489 . . . . 15.0 111.132 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -63.93 -48.8 75.14 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.963 0.411 . . . . 15.0 110.692 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -94.9 162.96 13.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.257 -0.646 . . . . 15.0 109.257 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -88.16 105.15 17.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.01 0.433 . . . . 15.0 110.002 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.6 mt -133.5 174.66 10.18 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.016 -0.538 . . . . 15.0 110.385 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.6 m -121.69 149.47 43.18 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.058 -0.519 . . . . 15.0 109.967 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.3 mt -80.16 126.49 39.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.109 -0.496 . . . . 15.0 109.761 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.63 113.32 26.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.232 0.539 . . . . 15.0 110.936 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.514 ' OH ' ' HA ' ' A' ' 10' ' ' ARG . 37.1 m-85 -95.39 108.35 20.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.949 -0.569 . . . . 15.0 109.558 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.485 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -99.15 118.85 36.81 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.321 -0.622 . . . . 15.0 109.321 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 18.5 t70 74.98 -45.84 0.58 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.002 0.814 . . . . 15.0 110.902 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.68 -26.35 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.527 -0.629 . . . . 15.0 111.527 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -81.47 144.7 53.68 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 110.518 -0.179 . . . . 15.0 110.518 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 7.5 Cg_endo -82.39 119.53 3.07 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.387 2.058 . . . . 15.0 111.733 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -121.35 168.98 11.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.193 0.521 . . . . 15.0 110.946 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.405 ' HB1' HD22 ' A' ' 28' ' ' LEU . . . -118.77 -171.26 2.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.547 -0.752 . . . . 15.0 110.308 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.522 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 5.5 t -127.66 124.66 63.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.423 -0.584 . . . . 15.0 109.423 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.5 p -78.11 170.15 17.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.168 -0.308 . . . . 15.0 110.168 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -53.93 -33.77 57.7 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.268 0.355 . . . . 15.0 111.916 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -57.05 -60.07 4.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 15.0 111.355 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.522 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -75.23 -29.4 60.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.813 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 112.747 0.647 . . . . 15.0 112.747 -179.2 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.479 ' HB3' ' CZ ' ' B' ' 54' ' ' TYR . 15.1 mtm180 . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.241 0.067 . . . . 15.0 110.854 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.32 159.85 51.51 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.617 2.211 . . . . 15.0 111.75 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -96.87 7.38 46.74 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.276 0.473 . . . . 15.0 112.276 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -118.6 136.02 54.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.815 0.34 . . . . 15.0 110.902 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.452 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 40.2 tp -56.67 -55.0 47.78 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 113.103 0.779 . . . . 15.0 113.103 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 12.2 Cg_endo -55.75 -34.5 91.11 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.017 1.811 . . . . 15.0 112.576 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -75.28 -40.88 58.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.694 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.82 -34.19 74.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 15.0 110.898 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 69.2 m -57.18 -37.7 72.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.343 -0.389 . . . . 15.0 111.213 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -64.35 -41.62 96.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.013 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -34.72 75.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.807 -0.633 . . . . 15.0 110.57 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 21.5 mt -84.49 -2.21 56.92 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.952 -0.567 . . . . 15.0 111.57 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 61.71 39.68 13.95 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.02 0.438 . . . . 15.0 111.271 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.477 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 14.8 t -146.52 -168.4 3.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.367 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 45.3 p -126.37 177.06 6.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 15.0 111.21 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.0 mt -65.61 -19.36 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.848 -0.615 . . . . 15.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -86.7 -6.58 58.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 15.0 111.638 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.477 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 31.8 t70 -128.34 -30.87 2.34 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.787 0.662 . . . . 15.0 112.787 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 tt -46.26 125.5 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.467 0.651 . . . . 15.0 112.222 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mm -96.48 109.94 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.64 -0.709 . . . . 15.0 110.05 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tp -125.72 134.67 51.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.155 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -102.82 159.35 15.56 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.51 -0.552 . . . . 15.0 109.51 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 53.3 t -67.82 143.67 55.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.027 0.441 . . . . 15.0 109.983 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.66 -23.55 22.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.024 -0.535 . . . . 15.0 111.292 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -110.02 -53.04 2.72 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.093 -0.243 . . . . 15.0 111.439 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -72.62 -25.16 61.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.827 0.346 . . . . 15.0 111.117 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 2.8 mptm? 56.85 32.45 21.43 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.873 -0.603 . . . . 15.0 111.358 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -110.43 165.72 11.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.403 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -65.05 118.57 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.048 -0.523 . . . . 15.0 110.534 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.2 137.95 53.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.278 -0.419 . . . . 15.0 109.92 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.466 ' O ' HG21 ' B' ' 42' ' ' VAL . 0.3 OUTLIER -66.92 136.38 55.27 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.211 -0.663 . . . . 15.0 109.211 179.205 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -54.92 -30.6 58.84 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.161 0.288 . . . . 15.0 111.435 -178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -68.97 -41.23 78.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.689 0.28 . . . . 15.0 110.285 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.42 -27.27 65.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.728 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.466 HG21 ' O ' ' B' ' 38' ' ' LEU . 57.6 t -61.21 -34.23 59.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.296 -0.631 . . . . 15.0 109.296 178.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -71.49 -36.41 71.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.548 -0.751 . . . . 15.0 110.058 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -66.92 -38.01 85.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.557 -0.534 . . . . 15.0 109.557 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -62.56 -33.98 76.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.884 -0.598 . . . . 15.0 110.538 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.96 -17.63 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.689 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -76.5 -49.62 16.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.737 -0.665 . . . . 15.0 109.867 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -89.49 151.4 22.01 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.834 -0.802 . . . . 15.0 108.834 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -83.62 89.52 7.13 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.313 -0.555 . . . . 15.0 111.318 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.86 173.18 6.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.352 -0.611 . . . . 15.0 109.352 178.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 82.0 m -118.87 147.31 44.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.718 0.294 . . . . 15.0 110.504 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' B' ' 12' ' ' LEU . 48.3 mt -80.22 126.16 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.306 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.59 125.96 43.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.659 -0.7 . . . . 15.0 109.972 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.479 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 74.8 m-85 -107.87 109.35 20.85 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.175 -0.466 . . . . 15.0 111.485 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -91.9 115.0 27.69 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.295 -1.002 . . . . 15.0 108.295 178.454 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 1.6 m-20 71.35 -73.58 0.1 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.918 0.761 . . . . 15.0 110.696 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.2 27.35 0.14 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.578 -0.82 . . . . 15.0 112.703 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -127.49 138.06 32.01 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 122.651 -0.323 . . . . 15.0 110.557 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -66.09 121.68 9.05 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.722 2.282 . . . . 15.0 112.467 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -126.76 144.04 51.07 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.026 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.3 -175.61 2.77 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.071 -0.513 . . . . 15.0 110.194 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' B' ' 66' ' ' CYS . 3.6 t -118.26 114.06 43.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 24.7 p -68.95 165.92 19.0 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.819 -0.437 . . . . 15.0 109.819 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 26.8 t0 -53.87 -26.74 26.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.758 0.651 . . . . 15.0 112.758 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -64.45 -59.6 4.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.063 0.458 . . . . 15.0 110.489 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . 0.478 ' HB2' ' CG1' ' B' ' 62' ' ' VAL . 0.0 OUTLIER -75.15 -30.77 60.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 13.9 tp -53.03 -52.05 59.71 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.862 0.69 . . . . 15.0 112.862 -178.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -72.35 -29.02 63.41 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.178 0.436 . . . . 15.0 112.178 -178.284 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -78.71 -29.45 45.44 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.362 0.504 . . . . 15.0 112.362 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.232 -0.889 . . . . 15.0 112.017 -178.579 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo . . . . . 0 N--CA 1.459 -0.531 0 N-CA-C 110.879 -0.47 . . . . 15.0 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -140.05 5.72 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.645 -0.422 . . . . 15.0 111.595 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -131.54 151.18 51.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.66 0.267 . . . . 15.0 110.841 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.46 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 40.1 tp -59.35 -54.42 56.31 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.955 -0.566 . . . . 15.0 112.401 -179.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.8 Cg_endo -55.05 -34.19 86.26 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.045 1.83 . . . . 15.0 111.928 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 13.9 mt-30 -71.25 -35.09 71.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.948 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.8 tp -73.23 -34.68 66.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.86 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.1 m -57.13 -40.94 78.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.988 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -28.72 65.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.422 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 7.8 mm-40 -70.04 -33.71 72.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.253 0.549 . . . . 15.0 109.724 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 tp -91.09 -3.46 57.11 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.573 -0.739 . . . . 15.0 110.382 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 60.91 46.98 8.03 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.589 -0.732 . . . . 15.0 111.213 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -150.19 -175.65 5.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.143 -0.481 . . . . 15.0 110.509 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.3 p -107.76 174.98 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.073 0.463 . . . . 15.0 111.628 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.3 mt -70.92 -19.06 21.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 115.755 -0.657 . . . . 15.0 111.152 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -86.96 -8.82 56.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.729 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -114.78 -32.87 5.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.274 -0.421 . . . . 15.0 111.988 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.8 tt -60.59 124.41 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-O 121.4 0.619 . . . . 15.0 111.843 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.1 mm -112.44 112.31 39.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.928 -0.578 . . . . 15.0 110.135 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 mp -117.65 160.8 20.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.164 -0.471 . . . . 15.0 110.658 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -120.11 166.25 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.876 -0.416 . . . . 15.0 109.876 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.2 t -70.73 144.87 50.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.247 0.546 . . . . 15.0 110.949 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.78 -31.64 49.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.288 -0.869 . . . . 15.0 111.978 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -116.32 -32.66 5.22 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.951 0.723 . . . . 15.0 112.951 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.6 m -82.16 -22.27 36.15 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.815 -0.354 . . . . 15.0 110.476 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 61.25 20.21 10.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.844 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.34 143.73 25.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.791 -0.64 . . . . 15.0 110.069 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -70.42 122.87 20.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.432 -0.349 . . . . 15.0 110.432 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mp -79.88 120.89 24.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.415 -0.357 . . . . 15.0 110.157 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.454 ' O ' HG21 ' A' ' 42' ' ' VAL . 17.3 mt -69.78 157.89 36.49 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.177 -0.675 . . . . 15.0 109.177 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -54.21 -28.49 41.32 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.016 0.436 . . . . 15.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -61.2 -44.15 97.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 15.0 110.182 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.65 -31.35 57.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.48 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.454 HG21 ' O ' ' A' ' 38' ' ' LEU . 47.6 t -64.7 -36.1 76.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.526 -0.546 . . . . 15.0 109.526 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -65.92 -37.48 86.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.775 -0.648 . . . . 15.0 109.917 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -33.63 76.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 15.0 110.023 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.428 ' CE2' HD23 ' A' ' 50' ' ' LEU . 14.3 t80 -70.83 -37.02 73.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.488 -0.778 . . . . 15.0 110.364 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.32 -20.85 39.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.01 0.433 . . . . 15.0 111.276 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -66.38 -25.9 67.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 15.0 110.506 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -124.27 172.8 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.903 -0.589 . . . . 15.0 110.299 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -99.29 90.43 4.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.673 -0.491 . . . . 15.0 109.673 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.428 HD23 ' CE2' ' A' ' 45' ' ' PHE . 17.0 tp -120.91 151.67 39.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.967 -0.56 . . . . 15.0 110.12 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.57 139.54 30.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.421 -0.354 . . . . 15.0 111.016 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.445 HG21 ' O ' ' A' ' 60' ' ' TYR . 21.6 mt -80.62 133.18 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.777 -0.453 . . . . 15.0 109.777 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 m -93.69 113.51 28.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.478 0.656 . . . . 15.0 111.008 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 59' ' ' PRO . 76.6 m-85 -100.44 110.05 22.22 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.109 -0.496 . . . . 15.0 109.67 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.39 125.26 46.64 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.136 -0.32 . . . . 15.0 110.136 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 71.55 -62.04 0.47 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.287 0.992 . . . . 15.0 110.73 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.75 16.73 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.591 -0.604 . . . . 15.0 111.591 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.619 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 4.6 t-20 -117.36 132.51 23.5 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 110.15 -0.315 . . . . 15.0 110.15 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.619 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 35.6 Cg_endo -67.21 116.54 4.24 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.675 2.25 . . . . 15.0 112.15 178.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 58' ' ' ASN . 38.8 m-85 -121.45 147.79 45.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.944 0.402 . . . . 15.0 110.561 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.15 170.3 8.26 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.164 -0.471 . . . . 15.0 109.901 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.5 t -98.65 113.6 33.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.328 -0.619 . . . . 15.0 109.328 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 24.8 p -69.03 167.97 14.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.268 0.556 . . . . 15.0 111.412 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -26.58 65.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.256 -0.884 . . . . 15.0 110.08 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -74.98 -58.53 3.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.65 -0.705 . . . . 15.0 110.623 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 99.0 m -59.52 -33.28 71.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.025 -0.534 . . . . 15.0 111.182 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.548 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 . . . . . 0 N--CA 1.467 0.422 0 CA-C-O 121.069 0.461 . . . . 15.0 111.171 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -76.76 -179.0 4.94 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.578 2.185 . . . . 15.0 112.127 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -106.16 -4.74 19.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.157 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -114.9 141.44 47.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.013 0.435 . . . . 15.0 110.43 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.565 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 13.4 tp -58.17 -48.68 96.6 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 113.53 0.937 . . . . 15.0 113.53 -178.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 1.8 Cg_endo -45.85 -51.03 8.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.898 2.399 . . . . 15.0 113.762 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -74.51 -29.68 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.679 0.276 . . . . 15.0 111.256 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 tp -62.24 -34.47 76.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.184 0.516 . . . . 15.0 109.818 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 51.6 m -65.53 -38.19 88.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.633 -0.712 . . . . 15.0 110.26 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -37.75 86.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 15.0 110.678 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.69 -35.7 80.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.344 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -89.24 -1.12 57.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.728 -0.669 . . . . 15.0 110.561 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 56.23 41.42 29.32 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.84 -0.618 . . . . 15.0 110.826 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -136.71 178.66 6.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.877 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 29.7 p -99.23 168.33 10.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.059 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mt -75.21 0.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.366 0.603 . . . . 15.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -101.55 -7.16 23.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 15.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -114.22 -29.81 6.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 15.0 111.643 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 15.7 tt -63.87 112.87 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.555 0.693 . . . . 15.0 111.11 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 51.0 mm -110.19 118.88 58.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.638 -0.71 . . . . 15.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' B' ' 37' ' ' LEU . 1.4 mp -114.14 155.76 25.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.921 -0.582 . . . . 15.0 109.828 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.428 ' HG3' ' CE2' ' B' ' 60' ' ' TYR . 1.6 pt-20 -103.19 161.39 13.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.766 0.317 . . . . 15.0 110.692 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . 0.516 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 53.9 t -74.37 143.96 44.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.309 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' B' ' 32' ' ' TYR . 3.2 p -77.46 -33.69 19.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.826 -0.624 . . . . 15.0 111.361 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.512 ' HB2' ' SG ' ' B' ' 66' ' ' CYS . 92.4 m-85 -96.74 -52.47 3.89 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.06 -0.256 . . . . 15.0 111.412 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 m -76.46 -25.46 54.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.655 -0.248 . . . . 15.0 111.401 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.516 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 28.8 mttt 61.43 28.61 17.96 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.468 0.651 . . . . 15.0 110.677 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -98.16 163.19 12.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.28 -0.873 . . . . 15.0 109.902 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -81.12 116.19 20.92 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.113 -0.328 . . . . 15.0 110.113 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' B' ' 28' ' ' LEU . 7.9 mp -81.08 126.07 30.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.871 0.367 . . . . 15.0 110.23 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 68.8 mt -78.27 171.98 14.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.151 -0.477 . . . . 15.0 109.778 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -59.96 -14.61 16.74 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.663 0.268 . . . . 15.0 111.474 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -60.76 -52.01 66.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.043 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.54 -31.46 65.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.59 . . . . 15.0 110.656 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.1 -38.17 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 15.0 110.96 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -71.37 -36.94 71.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.628 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -69.4 -36.3 76.62 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.01 -34.67 76.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.822 -1.081 . . . . 15.0 110.692 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.12 -33.65 22.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 15.0 111.359 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -68.52 -50.07 54.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.99 0.424 . . . . 15.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -92.83 162.46 14.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.749 -0.463 . . . . 15.0 109.749 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -81.0 80.93 7.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.47 0.652 . . . . 15.0 111.438 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.56 144.98 30.28 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.61 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.95 148.66 25.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.906 -0.588 . . . . 15.0 110.25 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 70.8 mt -80.69 131.94 32.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.933 0.397 . . . . 15.0 110.165 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -103.2 125.17 57.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.05 -0.523 . . . . 15.0 109.727 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -94.8 108.91 20.93 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.451 -0.5 . . . . 15.0 110.616 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -91.85 109.54 20.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.765 -0.652 . . . . 15.0 109.421 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 66.37 15.09 9.99 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.437 -0.801 . . . . 15.0 110.968 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.56 -7.04 49.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.717 -0.754 . . . . 15.0 112.648 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -99.83 141.28 22.5 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 110.031 -0.359 . . . . 15.0 110.031 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.07 118.46 5.45 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.723 2.282 . . . . 15.0 113.132 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . 0.428 ' CE2' ' HG3' ' B' ' 29' ' ' GLU . 7.4 m-85 -124.21 166.59 15.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.83 -0.623 . . . . 15.0 109.693 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.68 179.64 4.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.119 0.485 . . . . 15.0 111.558 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 22.0 t -120.22 121.26 65.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.537 -0.756 . . . . 15.0 110.104 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 6.8 p -83.64 176.32 9.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.66 0.267 . . . . 15.0 110.492 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.29 -27.86 67.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.051 0.453 . . . . 15.0 110.834 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -66.92 -57.74 6.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.989 -0.551 . . . . 15.0 111.053 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . 0.512 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 7.2 m -70.72 -24.18 62.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.884 -178.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -49.03 68.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.218 0.532 . . . . 15.0 111.34 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.01 -22.6 39.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.797 -0.638 . . . . 15.0 111.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.44 -54.2 6.72 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.825 0.676 . . . . 15.0 112.825 -178.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 C--O 1.255 1.392 0 CA-C-O 118.867 -0.587 . . . . 15.0 111.279 -178.596 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo . . . . . 0 N--CA 1.461 -0.425 0 CA-C-O 120.977 0.324 . . . . 15.0 112.421 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -90.15 6.8 41.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.205 -0.452 . . . . 15.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -125.3 134.7 52.16 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.45 -0.341 . . . . 15.0 110.185 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 23.8 tp -51.63 -51.48 69.4 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 114.093 1.146 . . . . 15.0 114.093 -177.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.8 Cg_endo -49.85 -40.61 48.4 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.466 2.11 . . . . 15.0 113.436 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -76.88 -24.92 52.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.734 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.6 tp -68.63 -34.45 75.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.8 0.333 . . . . 15.0 110.602 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 m -59.26 -35.61 74.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -66.33 -34.04 77.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.576 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -73.92 -27.34 60.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 15.0 111.15 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.4 mt -95.99 -0.53 50.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.877 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 59.47 56.95 3.49 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.542 -0.754 . . . . 15.0 111.731 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -161.15 179.74 8.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.491 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -103.81 170.58 7.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.888 0.375 . . . . 15.0 111.309 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.6 mt -65.06 -22.48 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.32 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -84.64 0.36 50.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.157 -179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -127.24 -29.42 2.74 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.006 0.372 . . . . 15.0 112.006 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.2 tt -59.21 121.85 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.513 0.673 . . . . 15.0 111.7 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 mm -110.58 120.49 61.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.707 -0.679 . . . . 15.0 109.593 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -121.51 151.07 40.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.38 -0.373 . . . . 15.0 110.151 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -100.1 155.84 17.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.393 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.6 t -68.28 143.78 55.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.043 -0.526 . . . . 15.0 110.399 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 p -62.63 -33.83 61.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.769 -0.65 . . . . 15.0 111.541 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -105.13 -54.11 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.948 0.351 . . . . 15.0 111.948 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.8 m -70.82 -25.35 62.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.108 0.411 . . . . 15.0 112.108 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 mttp 60.67 30.89 20.03 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.602 0.715 . . . . 15.0 110.08 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -102.85 142.33 34.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.076 -0.966 . . . . 15.0 110.099 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -68.26 123.04 19.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 mp -77.4 148.44 35.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.209 -0.451 . . . . 15.0 110.606 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.545 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . 66.0 mt -84.62 167.61 16.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.534 -0.543 . . . . 15.0 109.534 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.2 ptt-85 -66.11 -20.32 66.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.651 0.263 . . . . 15.0 110.969 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -64.24 -53.01 55.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.805 0.336 . . . . 15.0 110.698 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.545 ' OE1' ' HB2' ' A' ' 38' ' ' LEU . 1.1 pm0 -72.0 -33.0 67.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.259 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.433 HG13 HD22 ' A' ' 12' ' ' LEU . 24.4 t -60.85 -42.53 92.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.749 -0.463 . . . . 15.0 109.749 178.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -65.12 -42.06 94.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.954 -0.566 . . . . 15.0 110.05 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -66.12 -33.07 74.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.686 -0.688 . . . . 15.0 110.425 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -69.18 -40.18 78.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.471 -0.786 . . . . 15.0 110.437 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.62 -13.25 52.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.915 -0.584 . . . . 15.0 111.315 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -70.34 -45.5 66.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.085 -0.507 . . . . 15.0 110.034 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.5 mtm-85 -104.92 -176.08 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.228 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -96.04 88.87 5.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.151 0.5 . . . . 15.0 111.126 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.5 mt -115.66 149.92 37.58 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.882 -0.599 . . . . 15.0 109.596 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.4 p -101.15 147.84 25.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.817 0.342 . . . . 15.0 111.777 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 12' ' ' LEU . 76.1 mt -81.3 134.64 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.019 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.2 t -91.34 113.85 27.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.501 -0.555 . . . . 15.0 109.501 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -94.19 113.08 24.95 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.058 0.456 . . . . 15.0 111.406 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.567 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -102.31 107.01 17.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.662 -0.699 . . . . 15.0 109.144 178.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.8 25.22 8.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.667 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.13 -7.96 75.91 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.812 -0.709 . . . . 15.0 112.365 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -91.94 134.85 28.11 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 110.442 -0.207 . . . . 15.0 110.442 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.3 120.36 6.5 Favored 'Trans proline' 0 CA--C 1.528 0.195 0 C-N-CA 122.722 2.281 . . . . 15.0 112.989 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -126.17 151.03 47.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.045 -0.525 . . . . 15.0 110.058 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.73 172.57 6.75 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.307 -0.406 . . . . 15.0 110.301 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.18 117.06 54.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.552 -0.536 . . . . 15.0 109.552 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 26.6 p -72.89 168.03 19.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.968 0.414 . . . . 15.0 110.601 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.77 -24.7 64.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.016 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.2 -53.95 6.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.635 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 89.6 m -65.14 -24.9 67.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 15.0 112.076 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.245 0.545 . . . . 15.0 110.377 179.076 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 . . . . . 0 C--O 1.233 0.216 0 CA-C-O 121.075 0.464 . . . . 15.0 110.522 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -73.08 168.73 23.98 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.556 2.171 . . . . 15.0 112.386 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -91.41 0.93 57.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.177 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -104.86 122.05 44.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.527 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 15.1 tp -52.6 -52.31 65.14 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 116.006 -0.543 . . . . 15.0 111.934 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 19.2 Cg_endo -59.64 -33.8 96.59 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.091 1.861 . . . . 15.0 112.549 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -74.51 -27.84 60.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.722 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.97 -34.68 79.01 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.825 -0.806 . . . . 15.0 108.825 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 7.5 m -65.06 -30.09 71.03 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.579 -0.737 . . . . 15.0 109.849 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -43.58 83.22 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.856 -0.611 . . . . 15.0 110.495 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -68.73 -35.89 77.71 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.075 0.464 . . . . 15.0 109.93 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 38.3 mt -74.93 -10.89 59.92 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.518 -0.764 . . . . 15.0 110.369 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 60.47 40.35 17.24 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.662 -0.699 . . . . 15.0 110.951 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -138.68 -172.37 3.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.46 -0.791 . . . . 15.0 109.57 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 38.2 p -108.04 172.4 6.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 15.0 111.426 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.39 1.98 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.348 0.594 . . . . 15.0 110.754 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -104.59 -1.87 25.9 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.742 -0.466 . . . . 15.0 109.742 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -121.37 -20.21 6.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.981 -0.554 . . . . 15.0 111.429 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 tt -67.61 125.55 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.008 0.432 . . . . 15.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 33.6 mm -129.21 126.03 63.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.613 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -117.72 160.58 21.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.713 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -110.48 158.97 17.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.925 0.393 . . . . 15.0 111.199 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 43.1 t -68.23 140.97 56.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.51 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -72.08 -22.01 20.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.972 -0.558 . . . . 15.0 111.246 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -106.96 -43.69 4.59 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 15.2 m -85.65 -21.3 28.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.986 0.365 . . . . 15.0 111.986 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.7 mptt 63.56 15.41 8.84 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.291 -0.413 . . . . 15.0 110.728 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -93.27 144.33 25.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.243 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -72.09 132.36 44.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.972 0.415 . . . . 15.0 111.343 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mp -87.98 141.8 28.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.867 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 40.6 mt -80.02 162.29 24.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.342 -0.39 . . . . 15.0 110.369 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -52.45 -36.78 55.4 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.838 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -62.07 -44.86 95.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.892 -0.595 . . . . 15.0 110.659 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.06 -33.67 70.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.183 -0.462 . . . . 15.0 110.666 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.9 t -62.18 -40.02 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.059 0.457 . . . . 15.0 109.884 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -74.4 -32.37 62.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.342 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.34 -34.62 77.7 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.028 -0.73 . . . . 15.0 109.028 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.36 -44.43 87.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.001 -1.0 . . . . 15.0 110.278 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.47 -13.19 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.886 -0.597 . . . . 15.0 111.504 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.08 -33.76 76.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.503 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -114.3 -177.89 3.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.839 -0.43 . . . . 15.0 109.839 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.78 84.88 7.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.076 0.465 . . . . 15.0 110.698 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.3 mp -116.55 150.53 37.83 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.219 -0.66 . . . . 15.0 109.219 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.91 148.93 27.07 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.717 0.294 . . . . 15.0 111.18 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -80.26 123.1 36.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.336 -0.616 . . . . 15.0 109.336 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.21 136.22 24.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.328 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -104.73 110.29 22.57 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -92.2 111.4 22.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.429 -0.952 . . . . 15.0 108.429 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 70.99 -72.14 0.12 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 124.029 0.831 . . . . 15.0 110.763 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.98 16.96 0.12 Allowed Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.135 -0.786 . . . . 15.0 111.135 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.95 145.16 39.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 110.173 -0.306 . . . . 15.0 110.173 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.54 121.54 7.8 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.387 2.058 . . . . 15.0 111.691 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -122.27 167.89 12.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.091 -0.504 . . . . 15.0 110.34 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.36 178.75 5.85 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.556 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 34.5 t -113.36 123.8 69.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.767 -0.827 . . . . 15.0 108.767 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 28.8 p -73.67 174.58 8.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.297 0.57 . . . . 15.0 111.22 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.25 -16.55 63.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.414 -0.812 . . . . 15.0 110.805 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -81.72 -55.53 4.58 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.847 -0.615 . . . . 15.0 110.429 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 m -70.45 -18.72 63.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 15.0 111.553 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -43.15 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.035 -0.529 . . . . 15.0 112.199 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.67 -21.14 38.3 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.927 -0.309 . . . . 15.0 111.763 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -77.58 -41.73 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.843 0.354 . . . . 15.0 111.694 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.78 -0.628 . . . . 15.0 110.709 -178.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo . . . . . 0 N--CA 1.462 -0.359 0 N-CA-C 111.313 -0.303 . . . . 15.0 111.313 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -92.8 4.26 54.14 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.998 0.37 . . . . 15.0 111.998 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -114.76 136.37 53.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.776 0.322 . . . . 15.0 110.281 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.446 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 26.9 tp -55.77 -54.68 49.11 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 113.541 0.941 . . . . 15.0 113.541 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 12.4 Cg_endo -56.11 -35.53 95.13 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.019 1.813 . . . . 15.0 112.638 -179.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -73.37 -38.07 65.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.675 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -63.91 -34.78 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -56.51 -35.08 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -48.15 76.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.093 0.473 . . . . 15.0 111.202 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.84 -27.58 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.814 -0.63 . . . . 15.0 110.699 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.15 -9.29 58.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.841 -0.618 . . . . 15.0 110.207 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 62.34 40.37 11.29 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.584 -0.735 . . . . 15.0 111.619 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -146.35 -175.14 4.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.067 -0.515 . . . . 15.0 109.884 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.5 p -118.47 177.72 4.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.751 0.31 . . . . 15.0 110.486 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mt -73.3 -11.05 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.442 0.639 . . . . 15.0 110.106 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -83.82 -18.77 36.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.872 -0.603 . . . . 15.0 110.314 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -142.49 71.12 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.138 0.494 . . . . 15.0 111.376 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 tt -138.64 124.46 23.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.065 0.459 . . . . 15.0 110.142 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.7 mm -111.52 110.37 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.974 0.416 . . . . 15.0 110.567 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -112.53 153.79 26.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.399 -0.593 . . . . 15.0 109.399 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -109.32 155.53 21.06 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.826 0.346 . . . . 15.0 110.836 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 43.0 t -72.45 145.39 47.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.779 -0.646 . . . . 15.0 110.75 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.89 -27.61 16.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.805 -0.634 . . . . 15.0 111.718 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.451 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 42.2 m-85 -106.83 -44.93 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.999 0.37 . . . . 15.0 111.999 -178.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.6 m -86.81 -22.92 25.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.554 0.216 . . . . 15.0 111.233 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 8.6 mttt 61.12 29.18 18.72 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.334 0.588 . . . . 15.0 110.556 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.45 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 31.2 mm-40 -91.63 153.23 19.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.57 -0.741 . . . . 15.0 110.021 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -82.14 121.23 26.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.376 -0.375 . . . . 15.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.1 140.68 33.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.25 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' O ' HG22 ' A' ' 42' ' ' VAL . 65.5 mt -95.93 171.76 8.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.138 0.494 . . . . 15.0 111.442 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -58.86 -22.39 58.94 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.364 -0.834 . . . . 15.0 111.282 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -65.13 -52.52 54.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.545 . . . . 15.0 111.533 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -79.35 -27.0 41.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.488 -0.324 . . . . 15.0 111.588 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 38' ' ' LEU . 39.7 t -58.98 -39.93 79.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 15.0 110.817 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -69.65 -36.87 76.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.872 0.368 . . . . 15.0 110.71 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.88 -30.63 71.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.319 0.581 . . . . 15.0 109.944 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -64.56 -39.76 94.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.17 -0.923 . . . . 15.0 110.492 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.57 -20.77 29.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 15.0 111.262 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -68.06 -33.73 75.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.505 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -111.85 172.09 7.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.63 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -89.88 79.71 6.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.484 . . . . 15.0 111.19 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.69 166.84 10.12 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.019 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.3 m -123.5 147.28 47.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.037 -0.529 . . . . 15.0 110.312 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.451 HG23 HD12 ' A' ' 52' ' ' ILE . 56.3 mt -83.52 130.22 36.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.478 -0.328 . . . . 15.0 110.223 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.81 134.56 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.905 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -115.9 109.6 17.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.187 0.518 . . . . 15.0 111.805 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.402 HH11 ' HB2' ' A' ' 56' ' ' ASP . 6.8 tmm_? -101.58 121.06 41.3 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.304 -0.998 . . . . 15.0 108.304 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' HB2' HH11 ' A' ' 55' ' ' ARG . 0.7 OUTLIER 71.7 -69.01 0.2 Allowed 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.987 0.804 . . . . 15.0 110.499 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.89 29.0 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.719 -0.673 . . . . 15.0 111.5 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -124.92 146.22 52.62 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 110.25 -0.278 . . . . 15.0 110.25 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.33 118.49 4.94 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.622 2.215 . . . . 15.0 112.477 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -122.11 146.93 46.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.382 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.81 170.08 8.27 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.039 -0.528 . . . . 15.0 110.875 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.3 t -100.15 113.88 37.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.589 -0.732 . . . . 15.0 109.603 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 27.0 p -77.34 179.72 6.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.239 0.542 . . . . 15.0 111.709 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -63.7 -25.18 68.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.451 -0.795 . . . . 15.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -82.79 -54.71 4.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.524 . . . . 15.0 111.308 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 54.4 m -71.26 -17.44 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.64 0.607 . . . . 15.0 112.64 -178.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.971 0.415 . . . . 15.0 111.734 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.562 ' HG3' ' CZ ' ' B' ' 54' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.522 0 N-CA-C 110.169 -0.308 . . . . 15.0 110.169 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.445 ' HD3' ' HG3' ' B' ' 18' ' ' GLU . 66.1 Cg_endo -90.8 160.38 4.12 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.963 2.442 . . . . 15.0 112.548 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -87.94 -0.85 57.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.394 -0.366 . . . . 15.0 111.43 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.453 ' HD2' ' OE1' ' B' ' 14' ' ' GLN . 90.2 mttt -102.46 130.03 49.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.416 -0.357 . . . . 15.0 110.332 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.456 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 39.4 tp -54.17 -54.44 47.59 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 113.059 0.763 . . . . 15.0 113.059 -179.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 13.0 Cg_endo -56.02 -36.0 95.42 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.063 1.842 . . . . 15.0 112.846 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.453 ' OE1' ' HD2' ' B' ' 11' ' ' LYS . 20.2 mt-30 -73.92 -34.9 64.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.369 -0.378 . . . . 15.0 110.491 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 40.8 tp -63.0 -39.35 94.49 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 116.418 -0.355 . . . . 15.0 110.407 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.8 m -58.45 -43.5 88.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 15.0 109.844 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 14.7 m -64.24 -44.14 92.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.792 -0.64 . . . . 15.0 111.045 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.445 ' HG3' ' HD3' ' B' ' 9' ' ' PRO . 81.3 mm-40 -65.1 -35.7 81.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.55 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -81.42 -2.14 48.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.677 -0.692 . . . . 15.0 110.897 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 57.83 45.86 17.87 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 121.222 0.534 . . . . 15.0 110.922 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -148.08 179.48 7.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.009 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 71.5 p -98.76 176.1 5.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.58 0.228 . . . . 15.0 110.47 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 6.2 mt -77.27 -12.76 14.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.515 0.674 . . . . 15.0 110.191 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -95.12 -23.54 17.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.552 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -106.4 4.73 28.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.173 -0.467 . . . . 15.0 111.701 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.3 tt -80.79 124.39 38.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.216 0.531 . . . . 15.0 110.19 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 mm -99.75 106.77 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.076 0.465 . . . . 15.0 111.002 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.1 143.74 51.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.637 -0.71 . . . . 15.0 109.542 178.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' B' ' 36' ' ' GLN . 4.5 pt-20 -116.97 166.95 11.59 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.703 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 40.7 t -67.79 143.81 55.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.183 0.516 . . . . 15.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.51 -25.58 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.333 -0.848 . . . . 15.0 111.754 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -117.73 -47.08 2.63 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.418 0.525 . . . . 15.0 112.418 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 18.7 m -68.1 -24.49 65.04 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.525 0.203 . . . . 15.0 110.976 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 tptp 64.22 15.95 9.73 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.905 -0.589 . . . . 15.0 111.353 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.23 139.66 35.59 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.552 -0.536 . . . . 15.0 109.552 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' B' ' 29' ' ' GLU . 18.4 pt20 -65.72 139.33 58.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.932 0.396 . . . . 15.0 110.907 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -84.7 142.9 29.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.895 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.437 ' O ' HG22 ' B' ' 42' ' ' VAL . 51.0 mt -82.71 149.1 27.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.961 -0.755 . . . . 15.0 108.961 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.429 ' HE ' ' HB3' ' B' ' 39' ' ' ARG . 0.0 OUTLIER -52.59 -28.6 21.78 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.376 0.51 . . . . 15.0 112.376 -178.549 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -61.48 -46.22 90.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.621 0.248 . . . . 15.0 110.624 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -74.93 -30.13 61.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.931 0.396 . . . . 15.0 110.089 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.437 HG22 ' O ' ' B' ' 38' ' ' LEU . 60.7 t -64.16 -34.89 71.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.046 -0.524 . . . . 15.0 109.64 178.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -62.26 -44.9 95.5 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.024 178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -70.44 -27.71 64.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.521 . . . . 15.0 110.488 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -63.33 -35.62 81.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.762 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.95 -20.09 29.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.295 0.569 . . . . 15.0 110.298 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -75.18 -40.09 59.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.502 -0.772 . . . . 15.0 109.619 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -95.58 162.21 13.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.593 -0.731 . . . . 15.0 109.845 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -84.71 95.56 8.96 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.496 -0.557 . . . . 15.0 109.496 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.7 mt -132.95 142.59 48.96 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.409 -0.36 . . . . 15.0 110.591 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.5 m -100.71 155.51 17.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 62.5 mt -80.61 132.72 31.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.792 0.33 . . . . 15.0 110.687 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 t -90.99 136.29 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.342 -0.614 . . . . 15.0 109.342 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.562 ' CZ ' ' HG3' ' B' ' 8' ' ' ARG . 50.0 m-85 -120.9 110.2 16.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.085 0.469 . . . . 15.0 111.96 -178.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 0.7 OUTLIER -103.37 115.88 31.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.092 -1.077 . . . . 15.0 108.092 178.035 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 10.1 t70 73.4 -52.92 0.7 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.823 0.702 . . . . 15.0 110.613 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 174.15 -26.47 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 121.173 -0.537 . . . . 15.0 112.379 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -71.86 143.16 86.42 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.55 0.214 . . . . 15.0 110.594 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -74.53 122.43 7.42 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.706 2.271 . . . . 15.0 112.473 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -123.01 149.45 44.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.083 0.468 . . . . 15.0 110.723 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.99 -176.24 2.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.765 -0.652 . . . . 15.0 110.201 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 t -118.77 119.8 62.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.556 -0.535 . . . . 15.0 109.556 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 2.1 p -80.48 170.81 15.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.468 0.175 . . . . 15.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -53.14 -36.09 60.44 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.981 -0.554 . . . . 15.0 111.429 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.565 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 9.1 mtpt -64.57 -54.55 30.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.248 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 17.3 m -73.03 -27.07 61.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.787 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -59.06 -33.89 71.31 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.456 0.539 . . . . 15.0 112.456 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 61.0 pttt -78.66 -22.87 46.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.764 0.316 . . . . 15.0 110.597 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -77.66 -51.42 10.64 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.196 0.443 . . . . 15.0 112.196 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.398 -0.811 . . . . 15.0 111.748 -177.82 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo . . . . . 0 N--CA 1.464 -0.258 0 CA-C-O 120.925 0.302 . . . . 15.0 112.05 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -95.41 21.52 8.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.093 0.473 . . . . 15.0 110.775 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -125.64 125.11 42.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.584 . . . . 15.0 110.055 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.473 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 49.5 tp -52.67 -53.18 56.92 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 113.393 0.886 . . . . 15.0 113.393 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 12.3 Cg_endo -55.89 -33.93 90.21 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.326 2.017 . . . . 15.0 113.149 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -84.67 -33.49 23.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.901 0.382 . . . . 15.0 110.65 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.3 tp -62.0 -38.31 88.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.972 -0.558 . . . . 15.0 110.225 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.0 m -59.71 -36.34 76.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.498 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -65.86 -40.67 91.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.674 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.99 -37.0 85.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 15.0 110.577 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.57 0.72 55.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.557 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 58.76 45.51 15.51 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.308 0.38 . . . . 15.0 111.281 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -152.05 -170.18 3.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.723 -0.217 . . . . 15.0 110.513 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.7 p -122.94 177.62 5.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.954 0.407 . . . . 15.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.4 mt -67.87 -19.1 24.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.957 -0.565 . . . . 15.0 111.078 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -83.66 -3.26 57.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.139 -0.482 . . . . 15.0 111.421 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -132.09 -27.03 1.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.235 0.457 . . . . 15.0 112.235 -178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.2 tt -55.79 134.02 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 121.301 0.572 . . . . 15.0 111.482 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.7 mm -102.73 115.98 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.77 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.415 HD21 ' HB1' ' A' ' 61' ' ' ALA . 1.1 mp -124.37 139.08 54.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.881 -0.6 . . . . 15.0 109.79 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.433 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 4.2 pt-20 -122.87 164.16 18.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.881 -0.145 . . . . 15.0 110.719 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.8 t -67.97 137.3 55.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.126 0.489 . . . . 15.0 110.817 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.488 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 10.0 p -66.93 -26.99 38.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.814 -0.63 . . . . 15.0 111.554 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -105.61 -54.64 2.45 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.048 0.388 . . . . 15.0 112.048 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.0 m -74.59 -22.27 59.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.014 0.376 . . . . 15.0 112.014 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 mptt 63.21 25.5 14.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.23 0.538 . . . . 15.0 110.903 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -90.0 134.05 34.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.937 -0.574 . . . . 15.0 109.499 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -68.92 120.53 14.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.902 0.382 . . . . 15.0 110.533 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -85.53 122.48 29.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.944 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.2 mt -64.58 147.66 52.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.411 -0.589 . . . . 15.0 109.411 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -53.71 -29.86 41.1 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.759 0.314 . . . . 15.0 111.401 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.407 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 48.9 ttp180 -60.68 -40.82 93.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.277 -0.42 . . . . 15.0 110.679 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.85 -33.01 65.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.927 -0.578 . . . . 15.0 109.775 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.48 -33.22 60.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.528 -0.76 . . . . 15.0 110.375 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.407 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 20.0 m-85 -61.9 -31.68 71.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 15.0 110.343 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -30.96 60.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.333 0.587 . . . . 15.0 109.594 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -65.97 -38.52 88.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.171 -0.922 . . . . 15.0 110.082 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.68 -16.67 50.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.015 -0.538 . . . . 15.0 111.763 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -77.18 -22.59 52.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.357 0.599 . . . . 15.0 109.936 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -116.53 171.49 7.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.017 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -93.48 95.53 9.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.623 -0.51 . . . . 15.0 109.623 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -122.54 154.93 37.23 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.632 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.16 148.24 22.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.725 -0.67 . . . . 15.0 111.061 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.2 mt -95.3 123.38 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.02 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.7 137.27 22.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.794 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -116.09 124.5 50.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.1 107.16 18.99 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.155 -0.683 . . . . 15.0 109.155 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t70 68.96 -74.07 0.08 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.043 0.839 . . . . 15.0 110.898 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.35 12.55 0.27 Allowed Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.796 -0.522 . . . . 15.0 111.796 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -114.29 137.62 22.63 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.44 130.06 21.53 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.877 2.384 . . . . 15.0 111.974 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.488 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 9.2 m-85 -130.3 166.5 20.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.965 0.412 . . . . 15.0 110.839 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.415 ' HB1' HD21 ' A' ' 28' ' ' LEU . . . -121.66 -176.42 3.31 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.927 -0.579 . . . . 15.0 110.948 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.6 t -123.44 122.44 65.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.694 -0.685 . . . . 15.0 109.533 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 25.6 p -74.03 173.18 10.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.668 0.271 . . . . 15.0 110.761 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.26 -23.19 67.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.195 0.521 . . . . 15.0 110.613 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -75.95 -56.71 4.41 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.828 -0.624 . . . . 15.0 110.496 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 64.0 m -71.97 -19.23 61.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.546 -0.752 . . . . 15.0 111.627 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.171 0.51 . . . . 15.0 111.479 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 62.2 mtm180 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.688 0.28 . . . . 15.0 111.111 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.2 170.17 13.79 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.408 2.072 . . . . 15.0 111.933 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.89 2.78 38.49 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.962 -0.295 . . . . 15.0 111.617 -179.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -116.76 132.14 56.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.912 -0.403 . . . . 15.0 109.912 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 37.8 tp -52.07 -51.15 74.08 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 113.063 0.764 . . . . 15.0 113.063 -178.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.4 Cg_endo -55.89 -34.15 90.82 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.054 1.836 . . . . 15.0 112.637 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -77.76 -33.32 52.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.892 0.377 . . . . 15.0 110.351 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.8 tp -65.85 -34.54 78.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.204 0.526 . . . . 15.0 109.679 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.1 m -61.13 -37.65 83.57 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.614 -0.721 . . . . 15.0 110.081 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -40.27 93.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.324 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.66 -33.8 76.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.899 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mt -86.53 -3.9 59.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.603 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 60.92 41.62 14.05 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.554 -0.748 . . . . 15.0 111.216 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -144.1 -175.24 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.94 -0.573 . . . . 15.0 109.843 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p -110.13 172.13 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.953 0.406 . . . . 15.0 111.343 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 5.8 mt -71.57 -7.18 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.441 0.639 . . . . 15.0 110.447 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -93.5 -6.56 46.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.531 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -125.57 -25.5 3.7 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.02 0.378 . . . . 15.0 112.02 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 21.2 tt -61.5 125.26 17.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.367 0.603 . . . . 15.0 111.281 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 47.7 mm -114.47 114.01 45.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.939 -0.573 . . . . 15.0 109.98 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -111.8 160.91 16.89 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.164 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -107.71 151.99 24.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.399 -0.364 . . . . 15.0 110.627 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 41.7 t -69.31 137.97 53.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.305 -0.407 . . . . 15.0 110.413 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.3 p -68.87 -25.0 29.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.701 -0.681 . . . . 15.0 111.784 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -110.81 -55.36 2.49 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.801 -0.359 . . . . 15.0 111.867 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 m -68.53 -21.67 64.55 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.619 0.229 . . . . 15.0 111.619 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm 59.55 30.03 19.65 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.018 -0.537 . . . . 15.0 111.178 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -105.46 169.2 8.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.515 -0.311 . . . . 15.0 110.521 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -77.62 123.51 26.73 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.885 -0.783 . . . . 15.0 108.885 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.64 132.83 49.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.868 0.366 . . . . 15.0 111.028 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.433 ' O ' HG23 ' B' ' 42' ' ' VAL . 57.1 mt -76.23 164.66 25.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.886 -0.597 . . . . 15.0 110.336 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -54.45 -44.95 72.97 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.43 -0.35 . . . . 15.0 111.336 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -65.5 -37.04 85.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.58 -0.282 . . . . 15.0 111.18 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.448 ' OE2' ' HB2' ' B' ' 63' ' ' CYS . 53.7 mt-10 -66.51 -40.49 89.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.746 0.307 . . . . 15.0 110.317 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 38' ' ' LEU . 58.7 t -65.89 -42.7 92.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.12 0.486 . . . . 15.0 109.847 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -66.05 -35.27 80.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.949 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -35.86 82.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.093 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -67.25 -33.43 75.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.054 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.65 -15.99 55.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 15.0 111.118 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -93.48 -39.83 10.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.544 . . . . 15.0 110.74 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -93.95 133.95 36.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.218 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.23 95.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.439 0.638 . . . . 15.0 110.93 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mt -131.53 179.21 6.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.274 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 9.3 p -127.05 151.67 48.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.169 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . 0.445 HD11 ' HA ' ' B' ' 12' ' ' LEU . 77.2 mt -80.29 122.45 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.951 0.405 . . . . 15.0 110.603 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.69 114.32 31.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.766 -0.652 . . . . 15.0 110.608 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -93.48 111.01 22.58 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.146 0.498 . . . . 15.0 110.495 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -98.35 114.05 26.23 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.597 -0.89 . . . . 15.0 108.597 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t70 73.72 -51.41 0.7 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 124.05 0.844 . . . . 15.0 111.616 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.51 8.77 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.747 -0.74 . . . . 15.0 112.529 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.46 140.47 21.35 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.862 -0.421 . . . . 15.0 109.862 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -64.28 107.15 0.77 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.372 2.048 . . . . 15.0 111.677 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -117.31 147.27 42.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.878 -0.601 . . . . 15.0 110.309 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.15 168.95 13.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.117 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 t -97.78 113.12 31.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.575 -0.898 . . . . 15.0 108.575 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . 0.448 ' HB2' ' OE2' ' B' ' 41' ' ' GLU . 29.5 p -73.15 173.06 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.962 0.41 . . . . 15.0 111.574 -178.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.01 -21.77 65.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.634 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.521 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 0.7 OUTLIER -82.68 -50.47 8.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.973 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 66.0 m -69.99 -26.39 64.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.733 0.301 . . . . 15.0 111.204 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.59 -43.86 89.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 15.0 111.769 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -79.49 -13.48 59.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.637 0.256 . . . . 15.0 111.215 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.05 -26.85 54.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 15.0 111.228 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.544 -0.741 . . . . 15.0 111.222 -179.054 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo . . . . . 0 N--CA 1.461 -0.41 0 N-CA-C 111.254 -0.325 . . . . 15.0 111.254 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -93.38 18.66 9.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.038 0.447 . . . . 15.0 111.204 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -128.38 129.11 45.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.914 -0.585 . . . . 15.0 109.757 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 37.2 tp -50.53 -52.78 52.5 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 113.708 1.003 . . . . 15.0 113.708 -178.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 9.3 Cg_endo -52.85 -35.88 71.93 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 122.467 2.111 . . . . 15.0 113.761 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -85.47 -24.97 27.17 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.547 0.203 . . . . 15.0 111.547 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.9 tp -72.3 -34.55 68.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 15.0 110.698 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.537 ' SG ' HG12 ' A' ' 23' ' ' ILE . 58.9 m -59.48 -40.6 87.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.562 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -31.54 72.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 15.0 111.18 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.71 -37.94 89.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.211 0.529 . . . . 15.0 110.006 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.2 mt -84.77 -2.81 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.44 -0.8 . . . . 15.0 110.295 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 61.4 32.3 19.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.525 -0.761 . . . . 15.0 111.228 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -130.91 178.66 6.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.092 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.4 p -101.08 168.14 9.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.031 0.444 . . . . 15.0 111.448 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.537 HG12 ' SG ' ' A' ' 16' ' ' CYS . 11.5 mt -69.01 -11.1 14.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.629 0.728 . . . . 15.0 110.352 179.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.412 ' HA ' ' HH ' ' A' ' 43' ' ' TYR . 42.8 m-70 -91.12 -0.51 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.546 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -125.74 -32.1 2.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.247 0.462 . . . . 15.0 112.247 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 tt -61.38 124.03 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.257 0.551 . . . . 15.0 111.431 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 mm -113.47 108.99 26.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.991 -0.55 . . . . 15.0 110.393 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tp -109.96 156.06 20.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.247 -0.433 . . . . 15.0 109.973 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 2.8 pt-20 -113.72 162.47 16.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.668 -0.242 . . . . 15.0 110.523 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 44.3 t -67.39 140.54 57.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.254 0.549 . . . . 15.0 111.176 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.8 p -74.21 -18.44 17.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.376 -0.829 . . . . 15.0 111.328 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -101.83 -65.04 1.01 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.223 0.453 . . . . 15.0 112.223 -178.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.74 -2.95 58.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.599 0.592 . . . . 15.0 112.599 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 8.9 mptt 60.59 25.62 15.32 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.717 0.407 . . . . 15.0 111.972 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.425 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 3.6 mm-40 -77.32 133.31 38.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.498 -0.319 . . . . 15.0 110.254 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -70.88 119.02 14.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.751 0.31 . . . . 15.0 110.283 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mp -79.9 132.8 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.796 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.439 HD22 ' H ' ' A' ' 40' ' ' ARG . 0.4 OUTLIER -76.49 155.94 33.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.066 -0.716 . . . . 15.0 109.066 178.852 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -50.55 -32.1 17.54 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.926 0.393 . . . . 15.0 111.412 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.439 ' H ' HD22 ' A' ' 38' ' ' LEU . 54.2 ttp180 -61.24 -45.0 96.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.67 -0.695 . . . . 15.0 111.259 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.98 -27.51 60.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.031 -0.531 . . . . 15.0 110.439 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 38' ' ' LEU . 98.2 t -64.89 -36.01 76.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.82 -0.627 . . . . 15.0 110.044 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.412 ' HH ' ' HA ' ' A' ' 24' ' ' HIS . 18.8 m-85 -67.91 -35.02 77.73 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.047 -0.524 . . . . 15.0 110.06 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.65 -30.02 69.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.725 -0.67 . . . . 15.0 110.112 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -71.0 -34.06 71.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.139 -0.937 . . . . 15.0 110.61 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.43 -17.98 37.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.722 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -91.74 16.7 10.19 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.916 0.389 . . . . 15.0 111.292 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.91 154.3 38.09 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.475 -0.565 . . . . 15.0 109.475 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -78.14 78.02 4.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.436 0.636 . . . . 15.0 110.505 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.4 mt -116.02 160.43 20.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.731 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.29 155.72 31.29 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.078 0.466 . . . . 15.0 110.929 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' A' ' 12' ' ' LEU . 50.6 mt -87.45 126.86 41.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.529 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.9 t -93.4 119.21 40.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.314 -0.624 . . . . 15.0 109.314 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -93.65 111.97 23.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.23 0.538 . . . . 15.0 111.461 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.89 104.57 12.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.504 -0.771 . . . . 15.0 109.051 179.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 t70 69.13 -70.46 0.14 Allowed 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.99 0.806 . . . . 15.0 111.053 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -162.45 33.73 0.33 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.787 -0.721 . . . . 15.0 112.576 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -138.23 145.66 48.3 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 110.365 -0.235 . . . . 15.0 110.365 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -69.57 118.97 6.0 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.75 2.3 . . . . 15.0 112.832 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.428 ' CE2' ' HG3' ' A' ' 29' ' ' GLU . 37.3 m-85 -131.93 147.11 52.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.027 179.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -112.02 -176.46 2.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.761 0.315 . . . . 15.0 110.536 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 t -113.56 120.16 62.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.228 -0.656 . . . . 15.0 109.228 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 25.9 p -72.33 171.52 12.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.073 0.464 . . . . 15.0 111.095 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -63.51 -19.24 64.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.685 -0.688 . . . . 15.0 110.511 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -78.55 -58.92 3.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.859 -0.61 . . . . 15.0 111.033 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 16.6 m -72.72 -22.75 60.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.608 0.596 . . . . 15.0 112.608 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.464 0.264 0 N-CA-C 112.034 0.383 . . . . 15.0 112.034 -179.412 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.476 ' HB3' ' CE2' ' B' ' 54' ' ' TYR . 36.5 mtt-85 . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.822 0.344 . . . . 15.0 110.387 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.44 153.82 68.36 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.114 2.543 . . . . 15.0 113.191 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 49.2 mmt-85 -102.49 1.48 35.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.766 -0.652 . . . . 15.0 111.162 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -106.82 128.85 54.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.521 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.475 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 61.1 tp -54.01 -53.21 60.83 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.556 0.576 . . . . 15.0 112.556 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.9 Cg_endo -54.87 -42.71 66.3 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 122.005 1.803 . . . . 15.0 112.56 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.14 -36.45 72.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.684 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 tp -62.25 -41.28 98.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.488 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 54.3 m -62.52 -35.09 78.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.033 -0.53 . . . . 15.0 110.537 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -67.3 -37.18 82.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.919 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -69.6 -32.45 71.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.965 0.412 . . . . 15.0 110.753 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 67.0 mt -84.68 -0.16 52.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.575 . . . . 15.0 110.712 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 59.68 38.93 21.66 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.758 -0.656 . . . . 15.0 111.366 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 12.6 t -142.38 -173.1 3.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.307 -0.406 . . . . 15.0 110.297 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.0 p -109.95 169.76 8.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.937 0.398 . . . . 15.0 110.754 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.1 mt -66.32 -15.7 19.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.537 0.684 . . . . 15.0 110.444 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . 0.41 ' HA ' ' HD2' ' B' ' 39' ' ' ARG . 14.8 m170 -88.8 -4.84 58.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.754 -0.657 . . . . 15.0 111.59 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -125.42 -31.57 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.094 0.405 . . . . 15.0 112.094 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 15.8 tt -47.2 130.26 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.815 0.672 . . . . 15.0 112.815 -178.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mm -85.07 125.52 40.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.668 -0.696 . . . . 15.0 109.441 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 tp -136.78 135.95 38.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.71 0.29 . . . . 15.0 110.641 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.64 161.76 17.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.89 -0.595 . . . . 15.0 109.939 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . 0.539 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 42.4 t -78.23 143.75 36.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.73 0.3 . . . . 15.0 110.257 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.2 p -80.31 -22.5 11.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.26 -0.427 . . . . 15.0 111.291 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -105.69 -46.81 4.06 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.945 -0.302 . . . . 15.0 111.408 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . 0.41 ' SG ' ' NZ ' ' B' ' 65' ' ' LYS . 11.4 m -83.11 -23.19 33.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.486 -0.324 . . . . 15.0 110.78 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 0.1 OUTLIER 61.2 24.5 14.6 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.62 -0.718 . . . . 15.0 112.132 179.43 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -105.39 168.67 8.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 15.0 109.869 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -70.34 131.61 44.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.671 0.272 . . . . 15.0 110.613 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.79 136.95 36.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.638 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.464 ' O ' HG21 ' B' ' 42' ' ' VAL . 61.4 mt -67.49 143.87 55.97 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.423 -0.584 . . . . 15.0 109.423 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.41 ' HD2' ' HA ' ' B' ' 24' ' ' HIS . 15.7 tpp180 -56.15 -36.41 68.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.61 -0.268 . . . . 15.0 111.164 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.434 ' HD3' ' CG ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -64.36 -38.03 89.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.843 179.545 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.89 -33.5 73.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.114 0.483 . . . . 15.0 110.104 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.464 HG21 ' O ' ' B' ' 38' ' ' LEU . 35.4 t -62.66 -34.33 64.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.953 -0.567 . . . . 15.0 109.622 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.64 -41.86 99.27 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.794 -0.639 . . . . 15.0 110.033 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.49 -39.59 88.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 15.0 110.045 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.12 -33.32 74.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.253 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.23 -15.58 43.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.935 -0.575 . . . . 15.0 110.912 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -84.83 -55.67 3.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.202 -0.453 . . . . 15.0 109.964 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -84.89 130.79 34.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.55 -0.537 . . . . 15.0 109.55 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -68.07 94.64 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.185 0.517 . . . . 15.0 111.372 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 43.4 mt -118.07 -173.39 2.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.604 -0.725 . . . . 15.0 110.171 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 5.1 m -127.37 144.45 51.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.453 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . 0.469 HG23 ' O ' ' B' ' 60' ' ' TYR . 51.5 mt -82.03 127.87 39.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.956 -0.566 . . . . 15.0 110.569 179.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.6 t -93.29 121.64 44.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.476 ' CE2' ' HB3' ' B' ' 8' ' ' ARG . 6.9 m-85 -93.68 125.88 38.54 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.096 0.474 . . . . 15.0 111.466 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -104.55 105.31 15.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.282 179.364 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 1.8 m-20 74.59 -44.43 0.55 Allowed 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.881 0.738 . . . . 15.0 111.599 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.01 -10.48 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.932 -0.576 . . . . 15.0 111.874 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -91.91 134.04 29.55 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 110.059 -0.349 . . . . 15.0 110.059 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -67.15 104.06 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.865 2.376 . . . . 15.0 112.956 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . 0.469 ' O ' HG23 ' B' ' 52' ' ' ILE . 7.2 m-30 -113.47 160.85 18.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.172 -0.467 . . . . 15.0 109.827 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.63 -163.8 1.3 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.941 0.401 . . . . 15.0 110.844 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' B' ' 66' ' ' CYS . 11.4 t -121.4 124.88 72.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.927 -0.579 . . . . 15.0 110.001 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' B' ' 66' ' ' CYS . 27.4 p -80.77 173.11 12.93 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.11 -0.33 . . . . 15.0 110.11 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.465 ' CG ' ' HZ2' ' B' ' 68' ' ' LYS . 0.5 OUTLIER -51.2 -36.64 42.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.029 -0.532 . . . . 15.0 112.348 -179.493 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.41 ' NZ ' ' SG ' ' B' ' 33' ' ' CYS . 4.8 mttp -60.99 -60.74 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.939 0.348 . . . . 15.0 111.939 -178.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . 0.41 ' HB2' HG13 ' B' ' 62' ' ' VAL . 0.0 OUTLIER -74.49 -23.23 58.82 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.994 0.368 . . . . 15.0 111.994 -178.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.14 -47.94 74.37 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.16 0.43 . . . . 15.0 112.16 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.465 ' HZ2' ' CG ' ' B' ' 64' ' ' ASP . 16.2 pttt -79.37 -29.55 42.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.011 0.374 . . . . 15.0 112.011 -178.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -77.09 -46.88 22.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 15.0 111.88 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.795 -0.621 . . . . 15.0 110.705 -178.519 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo . . . . . 0 CA--C 1.528 0.178 0 CA-C-O 121.127 0.386 . . . . 15.0 112.434 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -100.46 9.45 42.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 15.0 111.388 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -120.66 130.88 54.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.106 -0.497 . . . . 15.0 109.876 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.8 tp -53.19 -50.57 81.65 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 113.467 0.914 . . . . 15.0 113.467 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.6 Cg_endo -54.39 -35.79 85.55 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.29 1.993 . . . . 15.0 113.538 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -83.0 -29.69 28.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.577 0.227 . . . . 15.0 111.07 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.6 tp -65.46 -38.4 89.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.036 0.446 . . . . 15.0 110.03 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.9 m -62.1 -36.98 83.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.778 -0.647 . . . . 15.0 110.321 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -38.62 88.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 15.0 110.661 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -68.59 -32.81 72.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.185 0.517 . . . . 15.0 110.129 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.2 2.02 29.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.656 -0.702 . . . . 15.0 110.807 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 56.3 42.01 28.4 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.968 -0.56 . . . . 15.0 110.794 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -150.59 -173.74 4.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.99 -0.55 . . . . 15.0 110.72 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 p -112.14 173.01 6.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.697 0.284 . . . . 15.0 111.25 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -28.53 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 121.12 0.486 . . . . 15.0 110.666 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.49 49.17 1.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.859 -0.61 . . . . 15.0 109.485 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -168.39 -39.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.963 -178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 tt -63.91 128.1 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 115.795 -0.638 . . . . 15.0 111.247 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.0 mm -117.12 114.42 45.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.05 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -119.52 154.55 33.65 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.804 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -112.76 164.04 13.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.766 0.317 . . . . 15.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 52.5 t -70.19 144.34 51.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.82 -0.627 . . . . 15.0 111.019 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.3 p -76.8 -25.55 15.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.834 -0.621 . . . . 15.0 111.175 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -102.24 -50.17 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.645 0.259 . . . . 15.0 111.674 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 m -80.23 -21.96 42.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.444 -0.344 . . . . 15.0 111.465 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 6.4 mptt 59.98 30.76 20.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.936 -0.574 . . . . 15.0 110.82 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -104.46 141.55 36.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.648 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -70.25 126.65 30.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.703 0.287 . . . . 15.0 110.72 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 mp -76.69 149.12 36.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.802 -0.635 . . . . 15.0 111.295 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.429 ' HG ' ' H ' ' A' ' 39' ' ' ARG . 12.1 tp -97.1 167.87 10.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.605 -0.725 . . . . 15.0 110.149 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.429 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 41.2 ttt180 -53.8 -30.09 43.41 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.905 0.482 . . . . 15.0 112.212 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -63.87 -53.96 42.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.608 0.242 . . . . 15.0 111.554 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 1.4 pm0 -72.38 -30.33 64.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.497 -0.319 . . . . 15.0 111.169 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 38' ' ' LEU . 56.1 t -62.63 -39.1 83.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 109.75 -0.463 . . . . 15.0 109.75 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -72.22 -36.25 69.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 15.0 109.93 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -35.42 78.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.325 0.583 . . . . 15.0 109.883 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -66.99 -38.63 86.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.117 -0.947 . . . . 15.0 111.022 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.65 -21.66 30.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.771 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -71.84 -24.87 61.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.956 0.408 . . . . 15.0 110.597 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -116.7 169.7 9.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.396 -0.594 . . . . 15.0 109.396 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -91.24 89.59 7.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.098 0.475 . . . . 15.0 110.811 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.78 172.85 6.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.648 -0.706 . . . . 15.0 109.681 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.1 m -126.31 150.47 48.46 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.42 -0.215 . . . . 15.0 110.42 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -80.75 132.15 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.922 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.24 114.93 34.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.96 -0.564 . . . . 15.0 110.33 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -96.65 111.65 23.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.33 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -92.04 108.91 20.28 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.599 -0.889 . . . . 15.0 108.599 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t70 72.43 -70.74 0.15 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.892 0.745 . . . . 15.0 110.911 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.0 22.97 0.19 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.019 -0.61 . . . . 15.0 111.906 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -125.96 133.82 25.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.414 -0.217 . . . . 15.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.21 119.86 6.25 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.503 2.135 . . . . 15.0 112.783 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -119.84 155.03 33.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 15.0 110.0 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.31 174.91 5.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.028 0.442 . . . . 15.0 111.144 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.6 t -101.32 122.06 52.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.608 -0.724 . . . . 15.0 109.315 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.3 p -79.58 -174.88 4.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.392 0.615 . . . . 15.0 111.676 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.79 -27.23 66.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.941 -1.027 . . . . 15.0 111.192 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -82.49 -51.14 8.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.049 0.452 . . . . 15.0 111.12 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.3 m -67.66 -19.48 65.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.002 -0.544 . . . . 15.0 111.327 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.463 0.191 0 CA-C-N 116.256 -0.429 . . . . 15.0 111.825 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.513 ' HB3' ' CZ ' ' B' ' 54' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.952 0.406 . . . . 15.0 110.972 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.544 ' HD3' ' OE1' ' B' ' 18' ' ' GLU . 21.2 Cg_exo -65.68 141.03 64.53 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.397 2.065 . . . . 15.0 111.656 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -85.14 13.99 5.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.03 0.443 . . . . 15.0 110.69 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -129.28 134.16 47.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 15.0 109.852 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.479 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 28.3 tp -55.14 -52.55 70.32 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 113.557 0.947 . . . . 15.0 113.557 -178.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.3 Cg_endo -53.67 -34.31 73.31 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.237 1.958 . . . . 15.0 112.862 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.34 -34.77 25.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.37 -0.377 . . . . 15.0 110.984 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.82 -37.75 85.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.322 -0.399 . . . . 15.0 110.624 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 45.3 m -62.63 -28.59 70.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.8 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -71.79 -42.19 67.41 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.702 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.544 ' OE1' ' HD3' ' B' ' 9' ' ' PRO . 3.5 mt-10 -66.73 -39.42 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.106 0.479 . . . . 15.0 110.398 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -77.27 -7.53 56.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.848 -0.614 . . . . 15.0 110.473 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 56.69 56.32 5.61 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.632 -0.713 . . . . 15.0 111.344 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.8 t -156.83 -171.11 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.783 -0.644 . . . . 15.0 109.339 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -115.55 174.91 5.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.728 0.299 . . . . 15.0 111.192 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.7 pt -73.9 4.65 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.67 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -104.15 -24.7 13.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.038 0.446 . . . . 15.0 110.246 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -107.12 -22.3 12.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.784 -0.644 . . . . 15.0 111.284 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 tt -65.54 131.54 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.447 0.642 . . . . 15.0 110.993 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 27.7 mm -121.93 121.82 65.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.782 -0.645 . . . . 15.0 110.224 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -125.76 160.12 30.6 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.624 -0.51 . . . . 15.0 109.624 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -122.22 155.63 35.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.53 0.205 . . . . 15.0 110.533 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' CYS . . . . . 0.732 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 45.1 t -68.18 145.16 54.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.097 -0.501 . . . . 15.0 110.933 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 6.7 p -76.92 -32.25 19.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.308 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -85.15 -71.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.122 0.416 . . . . 15.0 112.122 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 p -76.58 -16.1 59.68 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.585 0.231 . . . . 15.0 111.331 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.732 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 32.9 mttp 62.56 35.23 14.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.496 0.665 . . . . 15.0 111.385 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -91.99 146.8 23.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.813 -0.63 . . . . 15.0 109.721 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -72.97 122.41 21.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.713 0.292 . . . . 15.0 110.766 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -81.01 126.14 31.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.097 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.452 ' HG ' ' H ' ' B' ' 39' ' ' ARG . 13.7 tp -89.52 171.34 9.78 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.13 -0.486 . . . . 15.0 109.749 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.452 ' H ' ' HG ' ' B' ' 38' ' ' LEU . 1.8 ttt180 -48.44 -33.9 10.08 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 122.9 0.48 . . . . 15.0 111.518 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -59.67 -42.15 92.24 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.789 -0.641 . . . . 15.0 111.211 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.85 -35.07 26.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.65 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 38' ' ' LEU . 96.0 t -58.16 -42.18 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.073 0.463 . . . . 15.0 110.617 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -70.2 -38.78 75.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.647 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.88 -37.99 89.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.346 0.593 . . . . 15.0 109.884 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -64.22 -39.5 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.346 -0.843 . . . . 15.0 110.725 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.49 -12.86 57.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 15.0 111.739 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -69.49 -29.3 66.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.371 -0.377 . . . . 15.0 110.976 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -117.44 173.94 6.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.161 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -88.1 89.81 8.14 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.983 -0.747 . . . . 15.0 108.983 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.67 167.1 10.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.103 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 19.8 p -119.04 139.91 50.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.933 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . 0.431 HG21 ' O ' ' B' ' 60' ' ' TYR . 19.4 mt -83.97 125.1 40.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.972 0.415 . . . . 15.0 110.657 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -93.03 136.53 24.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.657 -0.701 . . . . 15.0 110.216 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 53.9 m-85 -110.64 111.51 22.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.113 0.482 . . . . 15.0 111.79 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -94.8 122.44 37.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.617 -0.719 . . . . 15.0 109.126 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 18.3 t70 70.48 -70.64 0.15 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.046 0.841 . . . . 15.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.78 27.24 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.443 -0.663 . . . . 15.0 111.443 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -130.58 144.11 52.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 109.8 -0.445 . . . . 15.0 109.8 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.51 121.06 9.02 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.627 2.218 . . . . 15.0 112.551 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' TYR . . . . . 0.431 ' O ' HG21 ' B' ' 52' ' ' ILE . 29.2 m-85 -124.41 156.28 37.4 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.412 -0.588 . . . . 15.0 109.412 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.538 ' O ' ' HA ' ' B' ' 30' ' ' CYS . . . -128.98 -177.16 4.1 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.813 0.34 . . . . 15.0 110.513 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.42 115.86 50.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.58 -0.896 . . . . 15.0 108.58 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 6.7 p -72.04 169.51 15.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.963 0.411 . . . . 15.0 111.316 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' B' ' 67' ' ' LEU . 30.3 t70 -57.58 -23.46 50.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.691 -0.686 . . . . 15.0 111.631 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -55.04 5.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.811 -0.631 . . . . 15.0 111.146 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' B' ' 69' ' ' PHE . 24.6 m -74.7 -17.32 60.68 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.045 0.758 . . . . 15.0 113.045 -179.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' B' ' 64' ' ' ASP . 10.1 mt -53.62 -37.8 63.4 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.498 0.555 . . . . 15.0 112.498 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -11.68 59.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.33 . . . . 15.0 111.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' PHE . . . . . 0.428 ' HB2' ' O ' ' B' ' 66' ' ' CYS . 3.8 m-85 -75.34 -49.72 18.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.419 -0.355 . . . . 15.0 111.126 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.815 -179.105 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptt? . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 110.31 -0.256 . . . . 15.0 110.31 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.422 ' CE1' ' HG ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -149.3 95.86 2.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.1 0.476 . . . . 15.0 110.43 179.484 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -133.22 -171.01 2.58 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.7 -0.682 . . . . 15.0 109.726 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.486 ' CG ' ' HA ' ' A' ' 5' ' ' PRO . 25.3 t70 -48.78 144.3 7.27 Favored Pre-proline 0 N--CA 1.472 0.645 0 O-C-N 123.56 0.537 . . . . 15.0 110.642 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.486 ' HA ' ' CG ' ' A' ' 4' ' ' ASP . 6.1 Cg_exo -73.49 -4.5 16.17 Favored 'Cis proline' 0 C--N 1.349 0.59 0 C-N-CA 124.484 -1.048 . . . . 15.0 114.433 1.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.444 ' HB2' ' O ' ' A' ' 3' ' ' GLN . 2.4 mp0 -70.74 149.38 46.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.683 -0.488 . . . . 15.0 109.683 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -113.92 -5.83 13.2 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.612 0.227 . . . . 15.0 111.612 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 69.41 80.39 0.21 Allowed Pre-proline 0 N--CA 1.468 0.427 0 CA-C-O 121.088 0.471 . . . . 15.0 109.918 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' OE1' ' A' ' 18' ' ' GLU . 37.2 Cg_exo -61.64 153.84 64.26 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.629 2.219 . . . . 15.0 112.91 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -95.33 1.69 54.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.366 -0.834 . . . . 15.0 109.894 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -117.91 139.56 50.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.674 -0.694 . . . . 15.0 110.742 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 25.2 tp -54.7 -54.38 49.83 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 112.863 0.69 . . . . 15.0 112.863 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 12.3 Cg_endo -56.02 -44.54 46.06 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.05 1.833 . . . . 15.0 112.638 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -68.79 -33.92 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 15.0 111.126 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.4 tp -60.66 -38.28 84.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.193 0.521 . . . . 15.0 109.695 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.447 ' SG ' HG22 ' A' ' 26' ' ' ILE . 21.0 m -70.15 -33.27 71.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.455 -0.793 . . . . 15.0 110.359 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -64.68 -47.5 78.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.288 -0.415 . . . . 15.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.453 ' OE1' ' HD3' ' A' ' 9' ' ' PRO . 8.7 mt-10 -68.79 -31.46 70.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.412 -0.358 . . . . 15.0 110.99 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.422 ' HG ' ' CE1' ' A' ' 2' ' ' PHE . 1.2 mt -80.23 -2.26 44.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 15.0 110.723 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 58.44 44.27 18.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.913 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.4 t -145.65 -174.41 4.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -111.95 166.56 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.447 -0.342 . . . . 15.0 110.469 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.1 mt -70.4 -13.8 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 15.0 110.093 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -87.22 -13.42 43.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 15.0 111.023 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -108.84 -38.39 5.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.857 0.317 . . . . 15.0 111.857 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.447 HG22 ' SG ' ' A' ' 16' ' ' CYS . 15.5 tt -66.63 126.05 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.357 0.599 . . . . 15.0 111.363 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.0 mm -113.42 122.03 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.991 -0.549 . . . . 15.0 109.657 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -102.35 159.95 14.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.756 0.312 . . . . 15.0 110.454 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -113.7 156.57 23.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.203 -0.453 . . . . 15.0 109.981 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.595 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 53.9 t -72.34 144.8 48.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.209 0.528 . . . . 15.0 110.625 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 p -82.18 -23.93 9.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.867 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -95.25 -61.33 1.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.627 0.603 . . . . 15.0 112.627 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.43 -10.51 43.53 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.801 -0.359 . . . . 15.0 111.656 -179.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 5.1 mptt 61.78 32.7 18.13 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.006 -0.543 . . . . 15.0 111.606 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.418 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 34.7 mm-40 -89.35 152.55 21.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.627 -0.508 . . . . 15.0 109.627 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -76.52 125.24 28.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.045 -0.354 . . . . 15.0 110.045 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mp -82.34 120.48 25.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.751 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -61.07 134.85 57.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.221 -0.659 . . . . 15.0 109.221 178.607 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -48.09 -39.04 19.08 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.405 0.44 . . . . 15.0 112.071 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -58.8 -39.99 82.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.05 0.452 . . . . 15.0 111.202 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -83.48 -22.4 32.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.845 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 38' ' ' LEU . 69.9 t -61.69 -33.67 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.142 0.496 . . . . 15.0 110.086 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -64.4 -23.65 67.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -67.01 -23.7 65.95 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.968 0.413 . . . . 15.0 110.194 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.77 -39.79 95.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.701 -0.682 . . . . 15.0 109.872 178.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.85 -28.94 24.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.346 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -67.23 -43.43 82.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.628 -0.715 . . . . 15.0 110.338 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -103.07 -173.95 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.043 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -95.82 95.61 8.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 15.0 110.546 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.31 142.1 33.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.405 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.6 p -108.59 156.86 19.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.108 -0.496 . . . . 15.0 109.891 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.4 mt -79.45 122.85 35.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.043 0.449 . . . . 15.0 110.256 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.1 t -91.07 120.29 39.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.623 -0.717 . . . . 15.0 109.983 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.04 109.11 20.88 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.945 0.402 . . . . 15.0 110.298 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -92.69 114.28 26.79 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.237 -0.653 . . . . 15.0 109.237 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.2 t70 70.99 -68.02 0.23 Allowed 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.989 0.806 . . . . 15.0 111.05 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.8 23.12 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.234 -0.507 . . . . 15.0 112.307 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -132.46 147.68 66.61 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.193 -0.299 . . . . 15.0 110.193 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -75.1 118.51 5.27 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.544 2.163 . . . . 15.0 112.738 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -120.55 164.74 16.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.843 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.533 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -127.37 170.36 12.6 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.388 -0.369 . . . . 15.0 110.43 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.6 t -101.99 119.29 50.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.137 -0.69 . . . . 15.0 109.137 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 22.9 p -73.09 171.38 13.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.153 0.502 . . . . 15.0 111.385 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.15 -23.13 67.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.524 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.92 -57.89 3.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.686 -0.688 . . . . 15.0 110.548 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.435 ' HA ' ' CD2' ' A' ' 69' ' ' PHE . 34.9 m -73.27 -15.39 61.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.587 -0.733 . . . . 15.0 112.738 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.68 -44.69 48.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.486 0.551 . . . . 15.0 112.486 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -79.13 -11.88 59.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.326 0.491 . . . . 15.0 112.326 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.435 ' CD2' ' HA ' ' A' ' 66' ' ' CYS . 15.6 m-30 -75.65 -35.3 60.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 15.0 110.041 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.847 -0.597 . . . . 15.0 110.573 -179.539 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 81.7 mmm . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.249 -0.278 . . . . 15.0 110.249 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.464 ' HB3' ' CD ' ' B' ' 8' ' ' ARG . 2.2 m-85 -144.2 127.16 16.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.643 0.259 . . . . 15.0 110.369 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -131.64 -176.5 4.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.378 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . 0.483 ' HB2' ' HA ' ' B' ' 5' ' ' PRO . 5.6 p-10 -72.28 159.28 85.81 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.788 -0.449 . . . . 15.0 109.788 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.483 ' HA ' ' HB2' ' B' ' 4' ' ' ASP . 6.9 Cg_endo -87.69 21.55 25.59 Favored 'Cis proline' 0 C--N 1.347 0.476 0 C-N-CA 124.631 -0.987 . . . . 15.0 113.575 0.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.45 ' HB3' ' OE2' ' B' ' 18' ' ' GLU . 9.3 mm100 -61.51 145.21 52.64 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.511 -0.551 . . . . 15.0 109.511 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -81.06 -36.52 30.36 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.282 -0.266 . . . . 15.0 110.282 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.464 ' CD ' ' HB3' ' B' ' 2' ' ' PHE . 48.7 mtm180 55.74 76.72 0.48 Allowed Pre-proline 0 C--O 1.234 0.24 0 CA-C-N 115.828 -0.624 . . . . 15.0 111.593 178.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.44 ' HD3' ' OE1' ' B' ' 18' ' ' GLU . 59.4 Cg_endo -74.84 176.0 10.43 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.546 2.164 . . . . 15.0 111.925 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -99.89 2.34 43.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.9 0.381 . . . . 15.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 49.8 mttm -108.85 127.82 54.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.201 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' B' ' 52' ' ' ILE . 32.8 tp -54.38 -52.63 67.57 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 113.286 0.847 . . . . 15.0 113.286 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 8.8 Cg_endo -51.52 -45.25 38.82 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.249 1.966 . . . . 15.0 112.756 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -68.89 -37.41 79.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.999 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.52 -37.72 87.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.973 0.416 . . . . 15.0 110.174 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m -64.03 -42.74 97.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.061 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.6 m -64.51 -38.75 92.1 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.09 -0.505 . . . . 15.0 110.67 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.45 ' OE2' ' HB3' ' B' ' 6' ' ' GLN . 23.2 tt0 -69.19 -37.64 78.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.505 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.08 -3.51 42.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.704 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 60.97 41.18 14.46 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.713 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 14.0 t -142.51 -173.63 3.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.779 -0.646 . . . . 15.0 109.977 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 58.2 p -111.96 169.79 8.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.778 0.323 . . . . 15.0 110.915 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 12.6 mt -69.62 -17.35 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.329 0.585 . . . . 15.0 110.364 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -82.53 -29.23 30.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.718 -0.674 . . . . 15.0 110.826 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -98.0 -25.32 15.01 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.706 0.632 . . . . 15.0 112.706 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.6 tt -61.05 138.11 22.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.313 0.578 . . . . 15.0 111.169 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mm -110.23 120.99 62.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.353 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -119.4 148.23 43.46 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -114.98 151.79 33.53 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.324 -0.25 . . . . 15.0 110.324 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 50.7 t -76.61 138.34 40.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.09 0.471 . . . . 15.0 111.145 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.6 p -75.45 -18.86 15.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.689 -0.687 . . . . 15.0 110.54 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -104.49 -60.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.281 -0.418 . . . . 15.0 111.393 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -67.89 -24.41 65.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.429 -0.35 . . . . 15.0 111.284 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm 67.15 10.47 7.73 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.211 0.604 . . . . 15.0 111.189 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -98.04 170.94 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.709 -0.478 . . . . 15.0 109.709 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -84.93 131.01 34.55 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.86 0.362 . . . . 15.0 110.23 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mp -68.71 144.79 54.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.685 -0.689 . . . . 15.0 111.465 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.87 158.35 32.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.478 -0.783 . . . . 15.0 109.525 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -56.36 -37.34 69.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.991 0.424 . . . . 15.0 110.66 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -68.83 -34.92 76.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.778 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -70.88 -37.11 73.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.744 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.17 -36.04 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.066 0.46 . . . . 15.0 109.827 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -65.77 -38.59 89.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.372 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -66.44 -42.15 88.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.847 -0.615 . . . . 15.0 109.885 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.59 -36.52 78.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.679 -0.691 . . . . 15.0 110.862 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.04 -17.94 48.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 15.0 111.238 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -84.25 -32.53 24.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.026 0.441 . . . . 15.0 110.289 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -86.52 160.1 19.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.021 -0.536 . . . . 15.0 110.264 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -83.74 45.88 1.11 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.866 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.96 162.15 13.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.58 . . . . 15.0 110.976 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 37.5 m -119.9 161.99 19.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.749 -0.66 . . . . 15.0 109.415 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' B' ' 12' ' ' LEU . 39.4 mt -80.12 126.21 39.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.825 0.345 . . . . 15.0 110.874 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.25 119.91 39.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.366 0.603 . . . . 15.0 109.938 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -93.72 110.51 22.14 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.694 -0.685 . . . . 15.0 110.246 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 3.3 mmm180 -122.77 130.61 53.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.071 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 9.5 t70 73.72 -26.67 0.19 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.727 0.642 . . . . 15.0 111.408 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' B' ' 55' ' ' ARG . . . 131.53 -6.99 5.59 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 111.627 -0.589 . . . . 15.0 111.627 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -103.34 137.09 19.16 Favored Pre-proline 0 C--N 1.32 -0.699 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.96 97.1 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.294 1.996 . . . . 15.0 111.576 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -96.33 156.62 16.26 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.066 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -130.94 -175.88 3.82 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.617 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.1 t -124.01 116.56 48.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.114 -0.698 . . . . 15.0 109.114 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . 0.422 ' CB ' ' HZ1' ' B' ' 65' ' ' LYS . 1.6 p -77.53 169.85 17.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.645 0.26 . . . . 15.0 110.743 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.77 -26.78 58.32 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.136 -0.484 . . . . 15.0 111.522 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 2.0 mppt? -62.86 -57.87 9.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.989 -0.55 . . . . 15.0 110.902 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -31.06 61.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.978 0.418 . . . . 15.0 111.123 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.8 mt -57.99 -34.68 70.24 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 112.892 0.701 . . . . 15.0 112.892 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 52.1 pttt -73.09 -20.95 60.85 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.678 -0.409 . . . . 15.0 111.635 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -77.72 -26.35 49.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.717 0.294 . . . . 15.0 111.388 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.669 -0.682 . . . . 15.0 111.003 -178.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.546 0.212 . . . . 15.0 111.267 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.79 143.75 26.21 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 110.129 -0.323 . . . . 15.0 110.129 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.4 -173.53 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.043 0.449 . . . . 15.0 110.891 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -126.57 139.29 34.35 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.978 -0.555 . . . . 15.0 110.065 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -87.72 -54.99 0.14 OUTLIER 'Cis proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.736 -1.36 . . . . 15.0 112.699 -0.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 65.71 9.56 6.06 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.945 -0.571 . . . . 15.0 111.61 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 70.93 -46.44 0.63 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.383 0.673 . . . . 15.0 111.639 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.0 mtm-85 65.45 75.59 0.34 Allowed Pre-proline 0 C--O 1.234 0.241 0 C-N-CA 123.171 0.588 . . . . 15.0 110.662 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.3 141.09 97.28 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.691 2.26 . . . . 15.0 112.083 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -96.34 14.42 24.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.667 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -119.24 128.75 54.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 15.0 110.512 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 44.0 tp -54.1 -51.06 80.71 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 113.361 0.874 . . . . 15.0 113.361 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.6 Cg_endo -54.07 -34.97 79.99 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.134 1.889 . . . . 15.0 113.092 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -83.27 -30.41 27.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 15.0 110.957 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.6 tp -64.92 -34.1 77.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 15.0 110.575 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.1 m -56.65 -35.92 68.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.686 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -33.99 75.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.912 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -67.18 -42.26 84.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.054 0.454 . . . . 15.0 110.313 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mp -81.92 -4.64 57.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.898 -0.592 . . . . 15.0 111.575 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 59.79 51.07 6.4 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.184 0.516 . . . . 15.0 110.275 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.493 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 14.6 t -152.06 179.64 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.835 -0.621 . . . . 15.0 110.273 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.9 p -106.13 175.68 5.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.716 0.293 . . . . 15.0 110.508 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mt -73.16 -9.8 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.421 0.629 . . . . 15.0 110.614 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -99.11 -2.88 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.598 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.493 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 11.5 t70 -132.6 -1.6 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.458 -0.337 . . . . 15.0 111.754 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 tt -75.72 111.38 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.648 0.737 . . . . 15.0 111.022 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.7 mm -89.65 90.58 3.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.654 -0.703 . . . . 15.0 110.137 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.0 tp -101.92 143.44 31.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.146 -0.479 . . . . 15.0 109.972 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -105.92 155.16 19.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.375 -0.375 . . . . 15.0 111.119 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 28.9 t -70.27 143.94 51.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.865 -0.607 . . . . 15.0 111.238 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.16 -34.02 67.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.782 -0.645 . . . . 15.0 111.944 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.606 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 41.3 m-85 -105.71 -48.37 3.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.411 0.523 . . . . 15.0 112.411 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.3 m -75.59 -26.38 57.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.698 0.285 . . . . 15.0 110.856 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 54.2 mttp 63.01 21.08 12.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.649 -0.705 . . . . 15.0 111.005 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -91.17 150.79 21.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.191 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -72.94 121.33 19.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.164 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.78 136.69 45.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.783 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.518 ' O ' HG22 ' A' ' 42' ' ' VAL . 21.2 mt -77.27 158.66 30.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.622 -0.51 . . . . 15.0 109.622 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -59.12 -18.35 34.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.047 -0.524 . . . . 15.0 112.176 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.519 ' HB3' ' OE2' ' A' ' 41' ' ' GLU . 9.8 ttp180 -72.17 -51.52 20.87 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.956 0.408 . . . . 15.0 110.361 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.519 ' OE2' ' HB3' ' A' ' 40' ' ' ARG . 1.1 pm0 -68.98 -33.38 73.59 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 38' ' ' LEU . 79.9 t -62.64 -37.92 80.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 15.0 110.179 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -62.65 -43.03 99.84 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.281 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.92 -35.57 81.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.249 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -69.43 -33.49 73.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.721 -0.672 . . . . 15.0 110.633 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.05 -32.24 39.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.941 0.401 . . . . 15.0 111.281 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -73.14 -52.41 14.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.657 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -81.51 135.66 35.6 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.604 -0.517 . . . . 15.0 109.604 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -74.94 97.39 3.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.203 0.525 . . . . 15.0 110.513 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.7 mt -115.83 -175.46 2.73 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.617 -0.719 . . . . 15.0 109.634 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.94 135.22 54.41 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.416 -0.356 . . . . 15.0 110.158 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 12' ' ' LEU . 56.9 mt -80.35 127.17 39.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.197 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.2 m -92.14 119.06 38.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.217 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -93.68 109.08 20.74 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 110.04 -0.356 . . . . 15.0 110.04 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -83.43 105.13 14.12 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.637 -0.875 . . . . 15.0 108.637 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 20.6 t70 75.92 -46.94 0.56 Allowed 'General case' 0 N--CA 1.47 0.543 0 O-C-N 124.18 0.925 . . . . 15.0 110.666 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.58 -15.31 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 116.009 -0.542 . . . . 15.0 111.889 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -88.71 140.49 29.64 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 120.651 0.262 . . . . 15.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -70.99 109.44 2.55 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.521 2.147 . . . . 15.0 111.901 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -111.83 148.01 34.51 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.18 -0.464 . . . . 15.0 110.219 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.16 165.94 10.87 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.121 -0.491 . . . . 15.0 110.64 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -106.82 112.13 38.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.087 -0.708 . . . . 15.0 109.087 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 65' ' ' LYS . 28.7 p -69.18 169.65 11.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.86 0.362 . . . . 15.0 110.461 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.35 -21.75 65.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.244 0.545 . . . . 15.0 110.342 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.533 ' HB3' ' SG ' ' A' ' 63' ' ' CYS . 0.3 OUTLIER -76.9 -57.47 3.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.208 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 85.2 m -69.73 -18.71 63.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.893 -0.594 . . . . 15.0 111.456 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 tp -60.99 -30.49 70.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.271 0.558 . . . . 15.0 110.493 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -81.84 -13.95 56.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.747 -0.66 . . . . 15.0 110.839 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -77.23 -52.29 9.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 15.0 111.402 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 . . . . . 0 C--O 1.244 0.81 0 CA-C-O 118.523 -0.751 . . . . 15.0 111.136 -179.077 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.473 ' HA ' ' OD1' ' B' ' 58' ' ' ASN . 32.7 ttp . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.182 -0.303 . . . . 15.0 110.182 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -113.55 171.35 7.62 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.21 -0.293 . . . . 15.0 110.21 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -144.84 171.48 14.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.926 0.393 . . . . 15.0 110.968 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . 0.448 ' CG ' ' HA ' ' B' ' 5' ' ' PRO . 9.0 t70 -67.74 146.06 98.3 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.925 -0.58 . . . . 15.0 109.886 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.448 ' HA ' ' CG ' ' B' ' 4' ' ' ASP . 87.1 Cg_endo -97.31 36.76 6.72 Favored 'Cis proline' 0 C--N 1.349 0.555 0 C-N-CA 124.603 -0.999 . . . . 15.0 113.922 0.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.489 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 59.0 mt-30 -77.06 111.48 12.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.763 -0.458 . . . . 15.0 109.763 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' B' ' 8' ' ' ARG . 4.6 mm-40 -77.36 -20.39 54.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 15.0 111.483 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' B' ' 6' ' ' GLN . 0.2 OUTLIER 73.4 132.94 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.548 0 O-C-N 123.827 0.704 . . . . 15.0 111.633 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.9 -166.03 0.36 Allowed 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.878 2.385 . . . . 15.0 112.059 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -126.66 0.52 6.79 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 122.04 -0.412 . . . . 15.0 111.578 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -124.15 139.46 53.91 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.163 -0.31 . . . . 15.0 110.163 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.508 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 26.2 tp -52.19 -52.69 60.12 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 113.018 0.747 . . . . 15.0 113.018 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 7.7 Cg_endo -51.27 -34.08 47.83 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.683 2.255 . . . . 15.0 112.987 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -79.83 -31.45 40.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 15.0 110.98 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 tp -68.47 -38.33 80.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.85 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 0.468 ' SG ' HG12 ' B' ' 23' ' ' ILE . 64.4 m -59.04 -39.88 83.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.289 -0.414 . . . . 15.0 110.767 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -35.33 80.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 15.0 111.153 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.51 -30.74 70.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.626 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -92.73 1.52 57.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.544 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 56.5 47.89 17.82 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.826 -0.625 . . . . 15.0 111.198 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 15.2 t -150.29 179.42 8.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.007 -0.542 . . . . 15.0 109.846 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 34.6 p -103.26 -179.69 4.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.814 0.34 . . . . 15.0 110.735 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.468 HG12 ' SG ' ' B' ' 16' ' ' CYS . 4.9 mt -81.17 -5.37 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.33 0.586 . . . . 15.0 110.568 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -83.79 -20.96 32.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.711 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -148.2 87.89 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.725 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.1 tt -139.01 140.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.987 -0.551 . . . . 15.0 110.285 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 39.0 mm -80.3 94.6 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.924 -0.398 . . . . 15.0 109.924 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -127.8 133.37 49.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.988 -0.551 . . . . 15.0 110.594 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -127.47 170.18 12.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.351 -0.386 . . . . 15.0 110.792 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 43.9 t -80.03 144.58 33.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.98 -0.554 . . . . 15.0 110.736 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 p -76.26 -27.86 17.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.622 -0.717 . . . . 15.0 111.856 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -106.77 -50.87 3.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.206 0.447 . . . . 15.0 112.206 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -76.84 -23.43 52.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.751 -0.204 . . . . 15.0 111.195 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.9 tptp 65.79 16.79 10.64 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.549 0.69 . . . . 15.0 110.539 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -86.57 136.89 32.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.69 -0.686 . . . . 15.0 109.948 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -69.35 124.52 24.08 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.25 -0.648 . . . . 15.0 109.25 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -70.97 139.44 50.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.202 0.525 . . . . 15.0 111.191 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.474 ' O ' HG21 ' B' ' 42' ' ' VAL . 13.1 mt -83.59 162.55 20.79 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.58 -0.896 . . . . 15.0 108.58 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -56.77 -32.44 65.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.733 0.302 . . . . 15.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -62.52 -36.98 84.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.992 -0.549 . . . . 15.0 110.663 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -82.7 -39.19 22.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.324 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.474 HG21 ' O ' ' B' ' 38' ' ' LEU . 60.0 t -64.71 -35.33 74.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.366 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -34.53 75.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.895 -0.593 . . . . 15.0 111.193 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -70.4 -39.81 74.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.194 0.521 . . . . 15.0 110.006 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -65.67 -33.37 75.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.519 -0.764 . . . . 15.0 110.662 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.401 ' HB1' HG22 ' B' ' 23' ' ' ILE . . . -77.21 -30.04 54.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.313 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -80.81 -54.15 5.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.09 -0.505 . . . . 15.0 110.746 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -88.19 119.6 28.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.193 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.03 105.88 0.26 Allowed 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.876 -0.602 . . . . 15.0 111.647 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.8 mt -132.48 160.38 36.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.669 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.79 139.6 33.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.993 0.425 . . . . 15.0 111.42 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 53.0 mt -81.88 135.9 24.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.727 -0.669 . . . . 15.0 110.203 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 39.8 t -100.45 114.0 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.24 -0.437 . . . . 15.0 109.932 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -99.3 110.38 22.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.795 0.331 . . . . 15.0 110.99 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -89.07 108.43 19.59 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.116 -0.698 . . . . 15.0 109.116 179.388 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 9.7 m-20 73.52 -72.2 0.12 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 124.105 0.878 . . . . 15.0 110.282 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.37 21.51 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.166 -0.54 . . . . 15.0 111.914 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.537 ' HB3' ' CE2' ' B' ' 60' ' ' TYR . 23.3 t30 -117.27 136.0 23.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.2 -0.296 . . . . 15.0 110.2 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 7.0 Cg_exo -72.71 117.52 5.16 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.784 2.323 . . . . 15.0 112.996 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . 0.537 ' CE2' ' HB3' ' B' ' 58' ' ' ASN . 65.6 m-85 -127.92 145.31 51.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.141 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.61 176.31 5.17 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.115 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 14.8 t -96.93 112.1 28.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.83 -0.804 . . . . 15.0 108.83 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' B' ' 65' ' ' LYS . 29.2 p -72.23 171.55 11.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.084 0.469 . . . . 15.0 111.142 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -61.22 -26.63 67.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.462 -0.79 . . . . 15.0 110.177 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.438 ' HB2' ' SG ' ' B' ' 63' ' ' CYS . 4.8 mtpm? -73.11 -52.55 13.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.872 -0.604 . . . . 15.0 110.223 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 72.8 m -66.81 -32.43 73.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 15.0 111.025 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.0 -30.98 72.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.249 0.547 . . . . 15.0 109.898 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -80.68 -23.95 39.25 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.487 -0.779 . . . . 15.0 110.185 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -77.34 -49.34 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 15.0 111.18 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.588 -0.72 . . . . 15.0 110.995 -178.659 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.562 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 52.8 ttp . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.519 0.199 . . . . 15.0 110.481 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -94.88 158.45 15.48 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 110.203 -0.295 . . . . 15.0 110.203 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.47 162.54 32.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.433 -0.349 . . . . 15.0 111.175 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.507 ' CG ' ' HA ' ' A' ' 5' ' ' PRO . 16.8 t70 -62.43 146.61 93.19 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.955 -0.566 . . . . 15.0 109.908 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.507 ' HA ' ' CG ' ' A' ' 4' ' ' ASP . 73.1 Cg_endo -93.43 28.14 17.48 Favored 'Cis proline' 0 N--CA 1.458 -0.576 0 C-N-CA 124.266 -1.139 . . . . 15.0 113.82 0.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -78.14 99.92 6.38 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.414 -0.587 . . . . 15.0 109.414 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.641 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 5.9 mm-40 -81.34 10.02 6.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.927 -0.579 . . . . 15.0 112.363 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.641 ' NH1' ' HA ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER 69.89 143.66 0.09 OUTLIER Pre-proline 0 N--CA 1.468 0.439 0 CA-C-O 121.174 0.511 . . . . 15.0 111.44 178.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -79.35 -153.05 0.04 OUTLIER 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.399 2.066 . . . . 15.0 111.897 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -122.33 -46.01 2.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.851 0.315 . . . . 15.0 111.851 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -106.9 163.9 12.57 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.174 0.511 . . . . 15.0 111.991 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 35.6 tp -60.4 -49.32 90.83 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.181 -0.918 . . . . 15.0 113.188 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.5 Cg_endo -50.79 -36.53 52.18 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.276 1.984 . . . . 15.0 112.413 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 9.0 mt-30 -73.12 -44.93 59.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.48 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.2 tp -57.54 -35.45 70.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.7 -0.682 . . . . 15.0 111.287 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.526 ' SG ' HG12 ' A' ' 23' ' ' ILE . 48.2 m -60.59 -41.14 94.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.039 0.447 . . . . 15.0 110.161 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.5 m -70.65 -40.64 72.91 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.988 -0.551 . . . . 15.0 110.755 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 17.6 mm-40 -62.85 -33.62 75.63 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.167 0.508 . . . . 15.0 110.083 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -85.9 0.22 53.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.683 -0.69 . . . . 15.0 110.982 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 58.33 46.79 14.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.068 -0.514 . . . . 15.0 111.222 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 t -151.74 -171.19 3.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.123 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -113.49 176.12 5.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.774 0.321 . . . . 15.0 110.511 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.526 HG12 ' SG ' ' A' ' 16' ' ' CYS . 4.4 mt -76.55 -3.7 5.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.313 0.578 . . . . 15.0 110.711 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -96.27 -19.43 19.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.225 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -128.95 20.25 5.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.102 0.477 . . . . 15.0 111.292 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 tt -82.59 131.91 32.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.255 0.55 . . . . 15.0 110.654 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -100.57 115.9 42.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.271 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tp -129.37 151.63 49.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.181 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -125.01 159.81 30.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.618 0.247 . . . . 15.0 110.523 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.4 t -72.25 143.99 48.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.102 0.477 . . . . 15.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -77.42 -23.4 14.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.698 -0.683 . . . . 15.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -107.12 -53.84 2.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.811 0.338 . . . . 15.0 111.901 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.6 m -78.44 -20.8 50.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.242 -0.435 . . . . 15.0 111.976 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 tptp 64.63 13.97 8.68 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.785 0.802 . . . . 15.0 109.981 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -79.07 141.8 37.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.437 -0.801 . . . . 15.0 109.964 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -72.31 119.0 15.89 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.915 -0.402 . . . . 15.0 109.915 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' HG ' ' HG3' ' A' ' 41' ' ' GLU . 7.5 mp -73.21 129.12 37.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.721 -0.672 . . . . 15.0 110.921 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.501 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 65.8 mt -82.46 170.16 15.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.974 -0.557 . . . . 15.0 109.977 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -61.58 -20.23 63.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.537 -0.301 . . . . 15.0 111.683 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HB3' ' OE1' ' A' ' 41' ' ' GLU . 6.8 ttp180 -67.21 -53.35 31.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.924 0.393 . . . . 15.0 110.347 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 1.2 pm0 -69.27 -29.84 67.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.435 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 38' ' ' LEU . 59.3 t -63.19 -42.8 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.2 -0.667 . . . . 15.0 109.2 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -68.65 -37.41 79.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.91 -0.586 . . . . 15.0 109.754 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -34.67 78.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.333 0.587 . . . . 15.0 109.696 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -69.69 -47.83 61.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.603 -0.726 . . . . 15.0 109.621 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.53 -19.53 65.31 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.861 -0.609 . . . . 15.0 111.471 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.23 -13.71 61.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.116 0.484 . . . . 15.0 110.656 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 61.1 mtt85 -126.28 -179.83 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.0 -0.545 . . . . 15.0 109.876 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.83 70.13 0.71 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.195 0.521 . . . . 15.0 110.277 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.26 159.87 14.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.562 -0.744 . . . . 15.0 110.62 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.9 p -99.97 146.91 26.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.08 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 12' ' ' LEU . 76.0 mt -81.12 137.78 20.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.144 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 t -99.99 111.14 28.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.929 0.395 . . . . 15.0 110.088 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -96.8 109.05 21.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.385 -0.371 . . . . 15.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.4 114.37 28.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.066 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 71.3 -7.44 1.17 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.857 0.723 . . . . 15.0 111.964 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.79 -8.46 10.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.801 -0.714 . . . . 15.0 112.254 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.562 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 5.3 t30 -86.6 141.38 34.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.694 -0.484 . . . . 15.0 109.694 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 5.9 Cg_exo -75.2 96.48 1.03 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.558 2.172 . . . . 15.0 112.332 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -112.13 161.61 16.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.239 0.542 . . . . 15.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.56 -178.23 5.98 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.722 -0.672 . . . . 15.0 109.818 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 m -99.05 123.24 51.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.504 -0.554 . . . . 15.0 109.504 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.2 p -74.73 177.67 6.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.09 0.471 . . . . 15.0 110.613 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.19 -24.16 64.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.794 -0.639 . . . . 15.0 110.05 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -78.88 -57.68 3.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.348 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 84.1 m -56.9 -37.67 71.73 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.662 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -54.55 -42.35 70.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.11 0.481 . . . . 15.0 111.129 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -81.79 -33.93 30.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.71 -0.677 . . . . 15.0 111.921 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.6 m-30 -75.41 -28.96 59.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.524 0.564 . . . . 15.0 112.524 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.731 -0.652 . . . . 15.0 110.76 -179.315 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.453 ' HA ' ' OD1' ' B' ' 58' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.069 -0.345 . . . . 15.0 110.069 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.479 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -110.76 120.71 43.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.97 0.414 . . . . 15.0 110.438 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.434 ' HA ' ' NH1' ' B' ' 8' ' ' ARG . 0.0 OUTLIER -139.93 -175.93 4.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.872 -0.604 . . . . 15.0 110.031 -179.548 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . 0.484 ' OD1' ' HA ' ' B' ' 5' ' ' PRO . 29.0 t70 -45.46 140.9 3.96 Favored Pre-proline 0 N--CA 1.471 0.608 0 O-C-N 123.833 0.708 . . . . 15.0 111.72 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.484 ' HA ' ' OD1' ' B' ' 4' ' ' ASP . 83.3 Cg_endo -79.52 -4.41 38.96 Favored 'Cis proline' 0 C--N 1.347 0.452 0 C-N-CA 123.928 -1.28 . . . . 15.0 113.995 1.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -63.77 120.65 12.27 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.943 -0.392 . . . . 15.0 109.943 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -87.24 -16.67 34.57 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.303 -0.408 . . . . 15.0 111.483 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' B' ' 2' ' ' PHE . 0.5 OUTLIER 69.17 86.35 0.12 Allowed Pre-proline 0 N--CA 1.464 0.253 0 O-C-N 123.525 0.515 . . . . 15.0 111.285 179.282 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.61 177.32 8.87 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.509 2.139 . . . . 15.0 111.417 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -107.65 10.5 29.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.821 0.343 . . . . 15.0 110.93 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -125.08 129.75 50.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 15.0 110.069 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.479 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 53.4 tp -52.05 -52.62 60.22 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 114.099 1.148 . . . . 15.0 114.099 -177.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 10.3 Cg_endo -52.46 -35.97 68.05 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.262 1.975 . . . . 15.0 112.951 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -79.94 -30.62 39.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.823 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.13 -35.53 79.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.117 0.484 . . . . 15.0 110.241 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 0.419 ' SG ' HG12 ' B' ' 23' ' ' ILE . 57.4 m -61.15 -41.67 97.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.66 -0.7 . . . . 15.0 110.788 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -39.15 92.51 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.374 -0.375 . . . . 15.0 110.951 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.74 -40.84 92.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.743 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.5 -7.98 57.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.209 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 65.71 37.76 5.61 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.555 -0.748 . . . . 15.0 111.827 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -143.92 -174.05 4.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.297 -0.41 . . . . 15.0 110.209 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 49.0 p -114.7 172.74 6.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.949 0.404 . . . . 15.0 111.757 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.419 HG12 ' SG ' ' B' ' 16' ' ' CYS . 9.4 mt -71.68 -5.46 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.029 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -97.6 -2.86 40.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.174 -0.467 . . . . 15.0 110.804 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -128.14 -34.92 2.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.769 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 20.3 tt -62.71 127.14 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 121.355 0.598 . . . . 15.0 111.706 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 49.9 mm -114.49 121.15 66.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.551 . . . . 15.0 109.664 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 mp -112.96 160.68 17.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.311 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -110.07 156.47 20.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.645 -0.252 . . . . 15.0 110.506 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . 0.579 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 52.5 t -72.15 144.09 48.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.077 0.465 . . . . 15.0 109.898 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.7 p -80.14 -22.96 11.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.169 -0.469 . . . . 15.0 111.083 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -106.44 -49.48 3.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.896 -0.322 . . . . 15.0 111.524 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 m -81.99 -22.69 36.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.916 0.389 . . . . 15.0 110.496 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.579 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 5.7 mptt 62.59 20.36 11.94 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.405 -0.816 . . . . 15.0 111.302 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -92.12 156.65 17.21 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.542 -0.54 . . . . 15.0 109.542 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -74.68 126.74 31.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.999 0.428 . . . . 15.0 111.163 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -85.01 129.58 34.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.407 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.519 ' O ' HG21 ' B' ' 42' ' ' VAL . 68.6 mt -76.96 156.81 31.69 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.347 -0.612 . . . . 15.0 109.347 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -52.43 -29.33 23.91 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.156 0.285 . . . . 15.0 111.177 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -59.78 -49.04 79.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.389 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -32.23 68.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.126 0.489 . . . . 15.0 109.785 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.519 HG21 ' O ' ' B' ' 38' ' ' LEU . 48.4 t -64.97 -34.88 73.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.68 -0.691 . . . . 15.0 110.491 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -66.8 -37.16 84.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.151 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -67.39 -31.11 71.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 15.0 109.872 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -62.45 -34.9 77.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.621 -0.718 . . . . 15.0 109.847 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.09 -24.29 24.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.651 -0.704 . . . . 15.0 110.7 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -74.6 -42.2 59.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.477 -0.783 . . . . 15.0 110.689 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -100.26 162.8 12.73 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.02 -0.536 . . . . 15.0 109.755 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -81.85 104.44 12.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.943 0.401 . . . . 15.0 110.462 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.8 mt -134.5 170.57 15.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.808 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.06 152.88 46.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.749 -0.66 . . . . 15.0 109.65 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 53.8 mt -80.37 128.77 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.072 0.463 . . . . 15.0 110.621 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.51 131.91 40.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.689 -0.687 . . . . 15.0 109.33 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -111.44 115.34 29.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.225 0.536 . . . . 15.0 111.542 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -103.39 113.28 26.64 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.696 -0.853 . . . . 15.0 108.696 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 70.94 -77.53 0.05 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.92 0.762 . . . . 15.0 110.675 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.12 23.77 0.28 Allowed Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.676 -0.57 . . . . 15.0 111.676 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.453 ' OD1' ' HA ' ' B' ' 1' ' ' MET . 6.5 m-20 -126.2 138.68 32.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.38 0.133 . . . . 15.0 110.779 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -74.78 117.6 4.99 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.654 2.236 . . . . 15.0 111.757 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -115.24 171.38 7.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.206 -0.452 . . . . 15.0 110.115 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -128.64 -179.55 5.12 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.905 -0.589 . . . . 15.0 110.368 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 t -116.0 122.85 70.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.816 -0.629 . . . . 15.0 109.38 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 23.1 p -77.18 175.5 9.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.974 0.416 . . . . 15.0 111.112 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.03 -26.45 67.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.952 -0.567 . . . . 15.0 111.241 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -71.94 -59.08 2.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.013 -0.54 . . . . 15.0 111.33 -179.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 3.2 m -73.2 -22.71 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.578 0.584 . . . . 15.0 112.578 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 0.5 OUTLIER -50.62 -48.06 58.16 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.262 0.468 . . . . 15.0 112.262 -178.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -79.99 -23.34 41.63 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.946 0.35 . . . . 15.0 111.946 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -77.35 -44.12 30.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.926 0.394 . . . . 15.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.314 -0.85 . . . . 15.0 111.076 -179.033 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 ptm . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.736 -0.468 . . . . 15.0 109.736 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -134.67 86.66 2.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.283 0.563 . . . . 15.0 110.818 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.1 -165.19 1.37 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.411 -0.813 . . . . 15.0 109.567 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -52.82 143.85 28.54 Favored Pre-proline 0 N--CA 1.467 0.401 0 O-C-N 123.367 0.417 . . . . 15.0 111.019 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -86.11 -0.28 64.51 Favored 'Cis proline' 0 C--N 1.346 0.395 0 C-N-CA 123.684 -1.382 . . . . 15.0 112.896 -0.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -59.75 126.33 27.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -96.77 -3.93 41.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.945 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 66.49 74.83 0.34 Allowed Pre-proline 0 N--CA 1.465 0.29 0 CA-C-N 115.757 -0.656 . . . . 15.0 110.34 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' CD ' ' HG3' ' A' ' 18' ' ' GLU . 25.4 Cg_exo -62.61 157.7 45.53 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.649 2.233 . . . . 15.0 112.055 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -96.85 1.37 50.53 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.537 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -118.5 136.17 53.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.463 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.501 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 14.3 tp -55.36 -50.49 86.44 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 113.788 1.032 . . . . 15.0 113.788 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.1 Cg_endo -54.74 -43.13 62.08 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.132 1.888 . . . . 15.0 113.088 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -72.58 -30.47 64.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 15.0 110.772 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.5 tp -64.82 -34.18 77.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.031 0.443 . . . . 15.0 109.893 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.3 m -60.99 -39.77 90.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.168 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -64.77 -35.47 81.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.506 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' HG3' ' CD ' ' A' ' 9' ' ' PRO . 6.0 mm-40 -68.14 -36.59 79.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 15.0 110.303 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.4 mt -81.38 -6.81 59.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.991 -0.549 . . . . 15.0 110.647 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 63.1 40.37 9.11 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.768 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -145.42 -172.71 3.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.845 -0.616 . . . . 15.0 109.733 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.2 p -106.42 175.11 5.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.737 0.303 . . . . 15.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mt -72.29 1.39 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.132 0.491 . . . . 15.0 111.221 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -100.47 -7.98 23.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.071 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -123.4 -12.5 7.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.982 0.364 . . . . 15.0 111.982 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.0 tt -68.79 118.35 12.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.521 . . . . 15.0 110.974 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.6 mm -110.75 118.09 56.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.936 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -124.31 160.78 27.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.982 -0.553 . . . . 15.0 109.621 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -115.59 155.64 27.25 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.264 -0.174 . . . . 15.0 110.823 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 50.6 t -67.3 139.97 57.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 15.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -72.17 -31.21 38.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.631 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -95.62 -48.4 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.037 0.384 . . . . 15.0 112.037 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.2 m -83.09 -21.56 33.66 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.184 0.439 . . . . 15.0 112.184 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 4.4 mptt 58.65 45.13 16.43 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.578 0.704 . . . . 15.0 111.008 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -122.49 139.68 53.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.42 -0.809 . . . . 15.0 109.398 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -65.68 127.54 32.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.009 0.433 . . . . 15.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mp -83.33 142.83 30.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.508 -0.769 . . . . 15.0 110.909 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 85.3 mt -85.29 163.92 18.33 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.003 -0.739 . . . . 15.0 109.003 178.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -60.18 -19.07 52.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.7 0.286 . . . . 15.0 111.228 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -61.73 -50.22 73.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.84 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -76.62 -27.98 55.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.592 -179.488 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 38' ' ' LEU . 76.8 t -60.59 -40.43 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.035 -0.53 . . . . 15.0 110.374 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -68.79 -32.78 72.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.392 . . . . 15.0 110.57 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.4 ' OD1' ' HD2' ' A' ' 48' ' ' ARG . 4.5 t70 -67.86 -40.04 83.69 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.426 -0.583 . . . . 15.0 109.426 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -62.43 -34.09 76.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.167 -0.924 . . . . 15.0 110.472 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.03 -25.99 31.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.993 -0.549 . . . . 15.0 110.846 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -73.16 -54.79 7.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.09 -0.504 . . . . 15.0 109.818 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.4 ' HD2' ' OD1' ' A' ' 44' ' ' ASP . 33.6 mtt85 -82.99 162.94 21.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.823 -0.626 . . . . 15.0 109.7 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -91.98 103.23 15.77 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.657 -0.417 . . . . 15.0 110.744 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.0 mt -130.27 175.73 8.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.046 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.9 p -124.93 147.76 48.7 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.396 -0.366 . . . . 15.0 110.342 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.407 HD12 HG23 ' A' ' 52' ' ' ILE . 57.2 mt -81.11 125.92 39.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.738 0.304 . . . . 15.0 110.466 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -91.18 129.38 42.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.999 -0.546 . . . . 15.0 110.021 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -106.94 111.2 23.59 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.395 -0.366 . . . . 15.0 110.872 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.407 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 2.1 tmm_? -97.12 112.71 24.37 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.86 -0.793 . . . . 15.0 108.86 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 t70 63.9 19.86 11.94 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.629 0.728 . . . . 15.0 110.099 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.89 -8.39 70.53 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.498 -0.774 . . . . 15.0 112.508 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.474 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 1.2 t-20 -87.21 133.9 37.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.92 -0.4 . . . . 15.0 109.92 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 41.6 Cg_endo -67.99 116.84 4.52 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.678 2.252 . . . . 15.0 112.857 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 55' ' ' ARG . 33.2 m-85 -121.9 163.92 18.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.63 -0.714 . . . . 15.0 109.823 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.52 -177.54 3.93 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.874 0.369 . . . . 15.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.8 t -114.49 122.04 67.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.036 -0.727 . . . . 15.0 109.036 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 27.6 p -75.86 -179.79 5.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.176 0.512 . . . . 15.0 111.454 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -70.61 -17.35 62.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.486 -0.779 . . . . 15.0 110.515 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -82.67 -52.79 6.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 15.0 110.108 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.7 m -73.32 -17.84 61.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.68 -0.691 . . . . 15.0 111.625 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 22.7 tp -50.81 -49.23 59.04 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.981 -0.554 . . . . 15.0 112.358 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.81 -12.08 59.79 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.012 0.375 . . . . 15.0 112.012 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -75.57 -44.98 40.43 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.76 0.281 . . . . 15.0 111.76 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 C--O 1.252 1.207 0 CA-C-O 119.166 -0.445 . . . . 15.0 110.872 -178.826 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ptt? . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.64 0.257 . . . . 15.0 110.375 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.14 115.85 28.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.15 0.5 . . . . 15.0 111.355 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.491 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -129.24 -175.21 3.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.217 -0.901 . . . . 15.0 109.26 179.28 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . 0.551 ' CG ' ' HA ' ' B' ' 5' ' ' PRO . 21.9 t70 -53.61 145.92 27.43 Favored Pre-proline 0 N--CA 1.47 0.534 0 O-C-N 123.158 0.287 . . . . 15.0 110.56 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.551 ' HA ' ' CG ' ' B' ' 4' ' ' ASP . 3.0 Cg_exo -80.78 3.96 40.83 Favored 'Cis proline' 0 C--N 1.35 0.609 0 C-N-CA 124.332 -1.111 . . . . 15.0 113.95 1.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.491 ' HB2' ' O ' ' B' ' 3' ' ' GLN . 2.4 mp0 -67.82 125.5 26.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.634 -0.506 . . . . 15.0 109.634 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -96.39 -13.15 23.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.83 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 58.71 68.99 1.52 Allowed Pre-proline 0 C--O 1.238 0.454 0 N-CA-C 109.556 -0.535 . . . . 15.0 109.556 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.442 ' C ' ' H ' ' B' ' 11' ' ' LYS . 10.3 Cg_endo -52.43 143.2 45.38 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.699 2.266 . . . . 15.0 111.884 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.609 ' N ' ' HD3' ' B' ' 10' ' ' ARG . 0.0 OUTLIER -77.98 20.08 0.38 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.87 -0.604 . . . . 15.0 111.119 -178.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.442 ' H ' ' C ' ' B' ' 9' ' ' PRO . 64.1 mmtt -131.87 123.8 28.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.266 -0.642 . . . . 15.0 109.266 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 36.1 tp -51.54 -50.47 76.65 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 113.479 0.918 . . . . 15.0 113.479 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 10.0 Cg_endo -53.59 -35.09 75.88 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 122.301 2.0 . . . . 15.0 113.213 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -86.26 -27.96 24.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 15.0 110.838 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.65 -35.02 79.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.149 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 34.4 m -64.54 -29.68 70.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.925 -0.579 . . . . 15.0 110.592 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -38.47 78.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.533 -0.303 . . . . 15.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -68.98 -23.41 64.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.269 0.557 . . . . 15.0 109.71 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 15.2 mt -94.21 -1.59 53.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.391 -0.822 . . . . 15.0 110.082 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 57.25 44.03 22.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.534 -0.757 . . . . 15.0 111.67 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.8 t -147.81 -172.86 4.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.401 -0.363 . . . . 15.0 110.548 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.7 p -118.36 172.04 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.775 0.322 . . . . 15.0 111.297 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 mt -72.34 -3.5 4.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.26 0.552 . . . . 15.0 111.273 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -102.07 7.9 41.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.03 0.443 . . . . 15.0 109.937 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -130.31 -39.09 1.35 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.994 -0.548 . . . . 15.0 111.294 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 12.0 tt -65.98 133.66 30.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.092 -0.503 . . . . 15.0 111.331 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 36.6 mm -124.43 129.03 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.133 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.7 mp -114.25 158.41 21.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.431 -0.35 . . . . 15.0 110.451 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.458 ' HB2' ' CE2' ' B' ' 60' ' ' TYR . 85.6 mt-10 -105.05 158.21 16.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.37 -0.377 . . . . 15.0 110.035 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 37.0 t -73.52 136.75 44.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.901 -0.407 . . . . 15.0 109.901 178.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.407 HG13 ' CD2' ' B' ' 32' ' ' TYR . 4.8 p -66.56 -23.54 31.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.753 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.538 ' HB2' ' SG ' ' B' ' 66' ' ' CYS . 67.6 m-85 -109.14 -53.52 2.64 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.04 0.385 . . . . 15.0 112.04 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 5.4 m -74.55 -22.6 58.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.726 0.298 . . . . 15.0 111.164 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 51.6 mttp 62.19 26.79 16.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.653 -0.703 . . . . 15.0 111.136 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -99.63 149.93 22.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.529 -0.76 . . . . 15.0 109.718 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -74.75 124.95 27.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.841 0.353 . . . . 15.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.74 130.76 36.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.035 -0.53 . . . . 15.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.85 157.05 38.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.974 -0.557 . . . . 15.0 109.502 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -55.8 -29.86 60.41 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.77 0.319 . . . . 15.0 110.588 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -58.44 -47.01 85.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 15.0 110.685 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.3 -33.51 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.799 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.5 -37.99 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 15.0 111.044 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -65.35 -40.76 94.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.574 -0.284 . . . . 15.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.09 -36.71 80.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.429 0.633 . . . . 15.0 109.394 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -60.42 -41.84 94.8 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.292 -0.867 . . . . 15.0 110.657 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.06 -25.54 40.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -44.19 69.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.541 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -81.07 162.22 23.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.106 -0.331 . . . . 15.0 110.106 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -84.07 78.24 9.79 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.247 -0.649 . . . . 15.0 109.247 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.1 mt -110.28 -167.81 1.24 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.373 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 p -147.34 152.6 38.48 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.762 -0.458 . . . . 15.0 109.762 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 5.0 mp -80.21 122.97 36.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.587 -0.523 . . . . 15.0 109.587 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.6 t -90.41 127.82 42.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.578 -0.527 . . . . 15.0 109.578 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -94.09 111.07 22.75 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.043 0.449 . . . . 15.0 111.674 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -95.76 114.01 25.7 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.604 -0.887 . . . . 15.0 108.604 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 68.78 -78.06 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.92 0.762 . . . . 15.0 109.882 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.76 25.11 0.36 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.124 -0.56 . . . . 15.0 112.07 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -134.45 146.1 57.91 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.576 0.227 . . . . 15.0 110.783 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.76 117.58 4.87 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.941 2.427 . . . . 15.0 112.204 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . 0.458 ' CE2' ' HB2' ' B' ' 29' ' ' GLU . 4.8 m-85 -119.42 162.84 18.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.062 -0.517 . . . . 15.0 109.953 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.57 179.51 4.2 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.881 0.372 . . . . 15.0 110.903 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.5 120.4 64.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.815 -0.63 . . . . 15.0 109.482 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . 0.591 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 30.7 p -72.93 175.65 6.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.982 0.42 . . . . 15.0 111.097 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.36 -23.54 67.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.818 -0.628 . . . . 15.0 110.804 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.431 ' HB2' ' SG ' ' B' ' 63' ' ' CYS . 18.9 mtpt -76.52 -58.07 3.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.951 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 29.4 m -70.3 -23.79 62.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.035 -0.53 . . . . 15.0 112.132 -178.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.591 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 9.7 tp -56.21 -46.85 79.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.739 0.304 . . . . 15.0 111.546 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -80.3 -24.83 39.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.84 0.352 . . . . 15.0 111.12 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -76.01 -46.46 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.5 0.556 . . . . 15.0 112.5 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.966 -0.54 . . . . 15.0 111.471 -178.436 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 28.6 ttm . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 110.184 -0.302 . . . . 15.0 110.184 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -124.78 104.58 8.71 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.638 -0.505 . . . . 15.0 109.638 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.9 -164.44 1.37 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.383 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.432 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 4.5 p-10 -55.28 157.14 6.84 Favored Pre-proline 0 C--O 1.236 0.348 0 O-C-N 123.237 0.336 . . . . 15.0 111.111 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.432 ' HA ' ' HB2' ' A' ' 4' ' ' ASP . 83.4 Cg_endo -82.55 12.48 34.45 Favored 'Cis proline' 0 C--N 1.348 0.525 0 C-N-CA 123.856 -1.31 . . . . 15.0 113.325 0.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -64.96 151.94 44.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.18 -0.464 . . . . 15.0 110.365 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 43.4 tt0 -83.87 -33.0 24.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.013 -0.54 . . . . 15.0 110.905 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 7' ' ' GLU . 26.4 mtm180 68.84 72.89 0.33 Allowed Pre-proline 0 N--CA 1.465 0.312 0 O-C-N 123.771 0.669 . . . . 15.0 110.302 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.54 163.9 35.0 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.424 2.083 . . . . 15.0 112.201 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.438 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 2.2 mpt_? -96.59 -3.4 43.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.268 -0.424 . . . . 15.0 111.504 -178.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HB2' ' OE1' ' A' ' 14' ' ' GLN . 51.8 mttm -107.78 133.74 51.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.563 -0.29 . . . . 15.0 110.252 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.4 tp -52.9 -51.57 73.13 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 113.257 0.836 . . . . 15.0 113.257 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.1 Cg_endo -55.88 -40.22 86.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 121.857 1.705 . . . . 15.0 112.551 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.469 ' OE1' ' HB2' ' A' ' 11' ' ' LYS . 93.6 mt-30 -69.19 -33.65 73.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.926 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.89 -35.1 80.05 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.518 -0.549 . . . . 15.0 109.518 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -64.35 -40.21 95.41 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.743 -0.662 . . . . 15.0 109.995 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -44.3 96.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.585 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.08 -35.61 80.83 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.23 0.538 . . . . 15.0 110.336 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mt -82.18 -3.22 54.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.776 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 59.65 43.92 15.05 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.771 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 7.8 t -150.79 -174.18 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.001 -0.545 . . . . 15.0 110.568 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.4 p -111.54 175.56 5.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.993 0.425 . . . . 15.0 111.334 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.6 mt -69.68 -13.16 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -89.17 -6.86 56.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.007 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 29.3 t70 -120.96 -27.06 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.689 0.255 . . . . 15.0 111.689 -178.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.5 tt -58.09 124.35 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 121.396 0.617 . . . . 15.0 111.628 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.1 mm -106.6 117.09 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.855 -0.612 . . . . 15.0 110.54 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mp -124.24 148.13 47.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.223 -0.444 . . . . 15.0 109.818 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -109.64 158.44 18.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.36 -0.382 . . . . 15.0 110.358 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 44.4 t -67.27 140.06 57.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.186 0.517 . . . . 15.0 110.966 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.42 -22.42 22.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.533 -0.758 . . . . 15.0 111.05 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -104.22 -63.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.404 ' HB2' ' HG2' ' A' ' 35' ' ' GLN . 28.1 m -68.61 -20.6 64.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.732 0.301 . . . . 15.0 111.667 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 67.0 9.07 6.61 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.896 -0.593 . . . . 15.0 111.652 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.404 ' HG2' ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -87.62 151.63 22.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.505 -0.316 . . . . 15.0 110.32 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -69.42 134.79 49.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.165 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -81.21 141.41 34.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.45 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.472 ' O ' HG23 ' A' ' 42' ' ' VAL . 92.9 mt -81.0 167.65 19.57 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.998 -0.371 . . . . 15.0 109.998 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -61.84 -15.6 43.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.527 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 40' ' ' ARG . 9.5 mmm180 -75.6 -47.48 26.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.065 0.46 . . . . 15.0 110.333 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mp0 -71.4 -33.32 69.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.905 -0.589 . . . . 15.0 111.455 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 38' ' ' LEU . 51.1 t -62.4 -39.89 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.88 0.372 . . . . 15.0 110.771 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -66.67 -45.95 77.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.549 . . . . 15.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -61.31 -39.8 91.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.68 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -60.83 -36.46 79.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 15.0 111.09 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.56 -24.21 49.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 15.0 111.355 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.95 -24.61 48.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 15.0 110.527 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.47 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 46.6 mtt180 -87.17 174.13 8.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.422 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -104.24 21.93 15.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.221 0.534 . . . . 15.0 110.953 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.78 155.52 26.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.582 -0.736 . . . . 15.0 110.142 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.5 m -103.87 172.43 6.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.77 0.319 . . . . 15.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.6 mt -80.14 130.6 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.298 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -91.94 112.6 25.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.358 0.599 . . . . 15.0 110.435 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -93.57 107.48 19.33 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.185 0.517 . . . . 15.0 109.876 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -101.43 116.98 34.0 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.986 -0.746 . . . . 15.0 108.986 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 t70 72.06 -71.14 0.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 124.225 0.953 . . . . 15.0 110.498 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.25 29.27 0.11 Allowed Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.166 -0.774 . . . . 15.0 111.166 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.42 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 2.4 t-20 -133.31 134.28 23.83 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.152 -0.314 . . . . 15.0 110.152 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -72.85 99.16 1.05 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.496 2.131 . . . . 15.0 111.222 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -97.74 159.66 14.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.311 -0.404 . . . . 15.0 110.144 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.12 168.01 10.66 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.926 -0.579 . . . . 15.0 110.339 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.0 t -116.32 114.31 45.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 108.954 -0.758 . . . . 15.0 108.954 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.34 164.96 25.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.26 -0.274 . . . . 15.0 110.26 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.466 ' O ' ' HE2' ' A' ' 68' ' ' LYS . 31.8 t70 -53.51 -31.59 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.405 . . . . 15.0 111.76 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 1.8 mtpt -57.27 -59.06 5.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 15.0 111.169 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -30.39 64.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.005 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.47 HD11 ' CZ ' ' A' ' 48' ' ' ARG . 10.0 mt -59.39 -36.12 75.21 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.066 0.765 . . . . 15.0 113.066 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.466 ' HE2' ' O ' ' A' ' 64' ' ' ASP . 2.2 ptpt -79.56 -27.99 41.2 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.746 -0.381 . . . . 15.0 111.168 -178.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -77.84 -26.13 49.2 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.926 0.343 . . . . 15.0 111.926 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.941 -1.028 . . . . 15.0 112.208 -177.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ptm . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 120.841 0.353 . . . . 15.0 110.269 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.402 ' CE1' ' HG ' ' B' ' 19' ' ' LEU . 0.4 OUTLIER -151.5 100.71 2.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.052 0.453 . . . . 15.0 109.98 179.453 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -136.91 -172.94 3.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.872 -0.604 . . . . 15.0 110.391 -179.582 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . 0.403 ' CG ' ' HA ' ' B' ' 5' ' ' PRO . 20.9 t70 -46.01 141.46 4.43 Favored Pre-proline 0 N--CA 1.467 0.398 0 O-C-N 123.686 0.616 . . . . 15.0 111.343 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.403 ' HA ' ' CG ' ' B' ' 4' ' ' ASP . 74.4 Cg_endo -75.26 -4.96 21.93 Favored 'Cis proline' 0 C--N 1.348 0.541 0 C-N-CA 124.128 -1.197 . . . . 15.0 114.592 1.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' B' ' 3' ' ' GLN . 0.8 OUTLIER -66.5 112.04 3.89 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.889 -0.411 . . . . 15.0 109.889 179.425 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -76.83 -11.18 59.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.35 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.43 ' HB3' ' CE2' ' B' ' 54' ' ' TYR . 18.9 mtm180 68.65 81.69 0.2 Allowed Pre-proline 0 N--CA 1.465 0.315 0 CA-C-O 121.142 0.496 . . . . 15.0 110.835 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.444 ' CG ' ' HG3' ' B' ' 18' ' ' GLU . 12.6 Cg_exo -70.02 161.25 46.68 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.772 2.314 . . . . 15.0 111.926 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -99.22 5.64 46.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.783 0.325 . . . . 15.0 111.836 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -120.68 142.06 49.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.796 0.332 . . . . 15.0 110.695 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.455 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 39.8 tp -55.37 -53.63 59.89 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 113.251 0.834 . . . . 15.0 113.251 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.4 Cg_endo -55.16 -42.69 66.33 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.112 1.875 . . . . 15.0 112.435 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -67.98 -40.75 83.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 15.0 110.55 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.96 -38.68 86.75 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.966 -0.561 . . . . 15.0 110.572 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 64.6 m -62.4 -40.37 96.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 15.0 110.435 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m -64.24 -41.3 97.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.446 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.444 ' HG3' ' CG ' ' B' ' 9' ' ' PRO . 10.1 mm-40 -68.07 -34.7 76.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.445 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.402 ' HG ' ' CE1' ' B' ' 2' ' ' PHE . 2.9 mt -83.1 -1.82 53.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.531 . . . . 15.0 110.98 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 62.28 35.92 14.99 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.023 -0.535 . . . . 15.0 111.49 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.4 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 13.3 t -141.22 -173.05 3.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.425 -0.352 . . . . 15.0 110.422 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.08 164.98 15.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.572 -0.286 . . . . 15.0 110.405 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.23 -20.25 19.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 121.005 0.431 . . . . 15.0 111.974 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.482 ' HA ' ' HH ' ' B' ' 43' ' ' TYR . 87.6 m-70 -87.15 -5.85 58.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.241 -0.287 . . . . 15.0 111.77 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.4 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 29.7 t70 -121.37 -31.9 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.709 0.263 . . . . 15.0 111.709 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 tt -58.35 135.13 22.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.402 0.62 . . . . 15.0 111.798 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 mm -122.05 114.76 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.797 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -114.5 156.75 24.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.276 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -115.52 159.5 21.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.321 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . 0.492 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 53.5 t -68.73 138.16 54.66 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.581 -0.525 . . . . 15.0 109.581 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.99 -24.85 33.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.853 0.359 . . . . 15.0 111.32 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -101.46 -67.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.831 0.348 . . . . 15.0 111.456 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . 0.437 ' SG ' ' NZ ' ' B' ' 65' ' ' LYS . 1.4 m -67.73 -18.56 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.969 -0.559 . . . . 15.0 112.08 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.492 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 61.1 mttp 56.05 37.03 28.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.607 0.718 . . . . 15.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -97.69 139.06 34.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.113 -0.948 . . . . 15.0 109.565 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -70.44 111.29 5.89 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.87 -0.418 . . . . 15.0 109.87 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mp -73.27 130.17 39.63 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.318 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.03 149.53 50.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.655 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -48.63 -39.36 23.85 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.45 0.469 . . . . 15.0 112.079 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.508 ' HA ' ' CD2' ' B' ' 43' ' ' TYR . 47.4 ttp180 -61.48 -43.02 99.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.716 0.293 . . . . 15.0 111.363 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.9 -31.65 71.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.045 0.45 . . . . 15.0 110.415 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.59 -34.06 65.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.709 -0.678 . . . . 15.0 110.945 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . 0.508 ' CD2' ' HA ' ' B' ' 40' ' ' ARG . 16.9 m-85 -63.89 -27.08 68.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.464 -0.335 . . . . 15.0 111.078 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -26.93 66.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.955 0.407 . . . . 15.0 110.473 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.58 -31.76 70.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.627 -0.715 . . . . 15.0 110.116 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.99 -33.05 21.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.768 -0.651 . . . . 15.0 110.193 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -48.75 79.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.334 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -97.65 156.43 16.54 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.419 -0.586 . . . . 15.0 109.419 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -85.21 98.09 10.29 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.302 -0.559 . . . . 15.0 110.081 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.2 mt -126.61 169.31 13.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.799 -0.637 . . . . 15.0 110.084 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 72.8 m -113.93 146.0 40.7 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.248 -0.433 . . . . 15.0 110.225 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 47.1 mt -83.36 134.71 26.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.967 0.413 . . . . 15.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 m -97.12 136.42 27.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.288 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' B' ' 8' ' ' ARG . 23.9 m-85 -111.04 116.39 31.08 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.944 0.402 . . . . 15.0 111.299 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' B' ' 56' ' ' ASP . 0.4 OUTLIER -86.64 104.53 16.14 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.019 -1.104 . . . . 15.0 108.019 178.618 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.427 ' HB2' ' NH1' ' B' ' 55' ' ' ARG . 19.8 t70 68.72 -77.46 0.05 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.964 0.79 . . . . 15.0 110.245 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.95 21.32 0.88 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.749 -0.54 . . . . 15.0 111.749 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -121.39 138.35 28.08 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.429 0.157 . . . . 15.0 110.589 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -71.53 118.89 5.89 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.564 2.176 . . . . 15.0 112.059 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -124.37 164.46 19.59 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.184 0.516 . . . . 15.0 110.56 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.1 -174.65 2.63 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.299 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 t -123.34 121.75 63.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.321 -0.622 . . . . 15.0 109.321 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 31.0 p -70.02 170.78 10.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 15.0 111.131 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.42 -28.64 65.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.427 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.437 ' NZ ' ' SG ' ' B' ' 33' ' ' CYS . 0.1 OUTLIER -78.17 -52.79 8.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.133 -0.485 . . . . 15.0 111.088 -179.233 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 60.6 m -68.16 -23.99 64.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 15.0 111.348 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 15.8 tp -55.14 -52.96 61.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.15 0.5 . . . . 15.0 111.103 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -80.54 -14.18 58.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.054 -0.521 . . . . 15.0 111.322 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.28 -46.18 20.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.15 -0.477 . . . . 15.0 111.075 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.842 -0.599 . . . . 15.0 110.92 -179.289 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 ptt? . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.828 -0.434 . . . . 15.0 109.828 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.453 ' HB2' ' HD3' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -152.28 102.83 2.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.125 0.488 . . . . 15.0 110.516 179.203 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -132.1 -164.9 1.51 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.406 -0.815 . . . . 15.0 109.878 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.555 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 25.9 t70 -57.17 146.57 60.83 Favored Pre-proline 0 N--CA 1.47 0.54 0 N-CA-C 109.861 -0.422 . . . . 15.0 109.861 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.555 ' HA ' ' OD1' ' A' ' 4' ' ' ASP . 73.4 Cg_endo -76.98 -8.13 30.06 Favored 'Cis proline' 0 C--N 1.353 0.814 0 C-N-CA 124.35 -1.104 . . . . 15.0 114.248 1.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 3' ' ' GLN . 1.7 mp0 -59.41 131.29 50.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.956 -0.387 . . . . 15.0 109.956 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -91.97 -14.6 29.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.295 -0.411 . . . . 15.0 111.202 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.42 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 1.2 mtm180 68.36 79.67 0.22 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.399 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -75.72 163.9 32.95 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.544 2.163 . . . . 15.0 112.076 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -96.06 -5.24 41.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.387 -0.369 . . . . 15.0 110.458 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -106.12 128.27 53.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.152 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.541 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.8 tp -54.59 -48.98 93.68 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 112.983 0.734 . . . . 15.0 112.983 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 8.9 Cg_endo -52.01 -39.67 69.26 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.16 1.907 . . . . 15.0 112.463 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -75.96 -30.97 58.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.712 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.1 tp -65.23 -35.67 81.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.307 0.575 . . . . 15.0 109.801 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -64.9 -33.15 75.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.651 -0.704 . . . . 15.0 109.916 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -38.9 72.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.505 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -66.51 -38.46 87.26 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.135 0.493 . . . . 15.0 110.115 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mt -80.87 -8.65 59.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.856 -0.611 . . . . 15.0 110.849 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 59.04 48.7 10.41 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.805 -0.634 . . . . 15.0 110.913 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -147.09 -179.87 7.13 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.348 -0.387 . . . . 15.0 110.335 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.8 p -100.83 163.79 12.14 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.106 0.479 . . . . 15.0 111.304 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.2 mt -68.5 -14.47 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 115.673 -0.694 . . . . 15.0 111.305 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.64 -4.47 55.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.353 -0.385 . . . . 15.0 110.726 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -115.43 -34.78 4.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.36 -0.382 . . . . 15.0 111.559 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.4 tt -61.66 123.71 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.356 0.598 . . . . 15.0 111.429 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -115.94 104.4 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.899 -0.591 . . . . 15.0 109.791 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tp -95.66 154.7 17.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.161 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -111.77 151.73 28.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.32 -0.4 . . . . 15.0 110.483 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.466 ' HB3' ' H ' ' A' ' 35' ' ' GLN . 46.4 t -70.89 139.16 50.69 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.715 -0.476 . . . . 15.0 109.715 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.5 p -80.92 -19.91 11.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.836 -0.62 . . . . 15.0 111.196 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -92.91 -67.83 0.84 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.219 0.452 . . . . 15.0 112.219 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.474 ' SG ' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -84.73 -9.25 58.39 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.435 0.532 . . . . 15.0 112.435 -178.378 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 13.1 mptt 59.98 62.11 1.73 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.436 0.636 . . . . 15.0 110.441 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.466 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 18.6 mm-40 -125.12 136.34 53.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.536 -0.756 . . . . 15.0 109.821 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -73.03 121.24 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.838 0.351 . . . . 15.0 110.648 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -86.12 132.81 33.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.638 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' HG22 ' A' ' 42' ' ' VAL . 31.0 tp -80.23 160.01 25.73 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.135 -0.691 . . . . 15.0 109.135 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -53.1 -24.31 9.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.529 0.204 . . . . 15.0 111.46 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -59.31 -45.13 92.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.042 0.448 . . . . 15.0 110.714 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.85 -29.52 29.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.111 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.458 ' CG1' HD21 ' A' ' 12' ' ' LEU . 97.4 t -61.12 -37.38 77.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.192 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -65.33 -36.11 83.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.496 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -67.38 -34.11 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 15.0 110.56 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -64.66 -34.4 78.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.598 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' HB2' HD22 ' A' ' 12' ' ' LEU . . . -85.24 -27.17 26.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 15.0 111.494 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -21.16 62.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 15.0 111.062 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -114.47 156.19 25.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.621 -0.511 . . . . 15.0 109.621 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -81.22 83.97 6.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.349 0.595 . . . . 15.0 110.455 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.0 mt -117.38 177.1 4.86 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.559 -0.746 . . . . 15.0 110.28 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.9 m -132.03 146.73 52.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.179 -0.464 . . . . 15.0 110.33 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.8 mt -80.69 135.61 24.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.993 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -100.72 136.53 31.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.78 -0.645 . . . . 15.0 109.954 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 8' ' ' ARG . 56.7 m-85 -113.97 110.64 20.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.952 0.405 . . . . 15.0 111.791 -178.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 3.3 tmm_? -91.11 111.92 23.61 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.549 -0.908 . . . . 15.0 108.549 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 12.0 t70 71.71 -69.58 0.18 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.864 0.728 . . . . 15.0 110.89 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.75 34.93 0.16 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.968 -0.634 . . . . 15.0 112.205 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.44 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 29.9 t30 -137.14 133.67 18.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 2' ' ' PHE . 37.4 Cg_endo -67.6 119.72 6.74 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.823 2.349 . . . . 15.0 112.229 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -126.47 157.53 38.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.041 0.448 . . . . 15.0 110.611 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.75 -171.16 1.88 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.785 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.42 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 6.2 t -127.84 119.66 52.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.978 -0.749 . . . . 15.0 108.978 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 2.8 p -73.16 172.72 10.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 15.0 111.118 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -58.23 -24.13 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.643 -0.708 . . . . 15.0 112.234 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.474 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -73.93 -58.69 3.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.68 -0.236 . . . . 15.0 110.947 -179.339 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.42 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -73.61 -17.86 61.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.821 0.343 . . . . 15.0 111.845 -179.607 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 11.1 tp -53.18 -39.31 63.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.029 -0.532 . . . . 15.0 112.221 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -13.68 58.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.618 0.247 . . . . 15.0 111.479 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -76.92 -51.76 10.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.019 0.438 . . . . 15.0 110.532 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.032 -0.985 . . . . 15.0 110.54 -179.451 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ptm . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.777 0.322 . . . . 15.0 110.579 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.481 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -140.4 113.7 8.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.169 -0.469 . . . . 15.0 109.768 179.372 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.91 -168.33 2.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.893 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . 0.568 ' OD1' ' HA ' ' B' ' 5' ' ' PRO . 37.2 t70 -42.07 139.54 1.71 Allowed Pre-proline 0 N--CA 1.471 0.605 0 C-N-CA 123.889 0.876 . . . . 15.0 112.27 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.568 ' HA ' ' OD1' ' B' ' 4' ' ' ASP . 80.8 Cg_endo -79.11 0.28 34.02 Favored 'Cis proline' 0 C--N 1.35 0.638 0 C-N-CA 123.618 -1.409 . . . . 15.0 113.983 0.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.88 110.21 6.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.963 0.411 . . . . 15.0 110.147 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -81.67 -15.84 53.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.508 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' B' ' 2' ' ' PHE . 6.1 mtm180 68.44 89.77 0.09 OUTLIER Pre-proline 0 C--O 1.236 0.364 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.748 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.92 177.69 6.11 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.83 2.353 . . . . 15.0 112.493 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -102.49 -3.07 27.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.48 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -102.84 136.29 42.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.953 -0.388 . . . . 15.0 109.953 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.465 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 12.7 tp -58.27 -53.68 63.59 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.605 0.594 . . . . 15.0 112.605 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.6 Cg_endo -56.66 -34.83 96.72 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.111 1.874 . . . . 15.0 112.204 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -69.94 -35.34 74.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.759 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 tp -65.43 -34.57 78.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.039 0.447 . . . . 15.0 110.099 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 36.3 m -61.6 -33.08 73.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.704 -0.68 . . . . 15.0 110.279 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -44.16 72.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.036 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.02 -38.02 89.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 15.0 110.371 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.72 -6.67 54.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.954 -0.566 . . . . 15.0 111.145 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 57.95 44.58 19.51 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.108 -0.496 . . . . 15.0 112.202 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -150.03 -178.9 6.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.603 -0.271 . . . . 15.0 110.523 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -98.95 173.85 6.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.947 0.404 . . . . 15.0 110.607 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 mt -78.4 2.73 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.467 0.651 . . . . 15.0 110.183 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.533 ' HA ' ' HH ' ' B' ' 43' ' ' TYR . 10.0 m-70 -104.58 7.61 35.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.714 -0.676 . . . . 15.0 110.165 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -131.29 -32.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.969 -0.559 . . . . 15.0 111.887 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.5 tt -77.27 125.21 36.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.242 0.544 . . . . 15.0 111.527 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 49.8 mm -115.09 127.75 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 15.0 110.139 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.62 161.04 19.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.701 0.286 . . . . 15.0 110.686 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -111.47 156.89 20.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.561 -0.291 . . . . 15.0 110.69 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 48.6 t -69.45 139.18 53.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 15.0 110.23 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 6.8 p -73.26 -23.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.994 -0.548 . . . . 15.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -102.91 -60.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.743 0.306 . . . . 15.0 111.493 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 m -71.66 -21.49 61.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 15.0 111.463 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 93.6 mttt 64.17 17.78 10.88 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.08 -0.509 . . . . 15.0 111.083 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -90.91 158.73 16.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.357 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -77.43 132.5 38.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.863 0.363 . . . . 15.0 111.221 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -96.69 112.27 24.09 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.111 -0.495 . . . . 15.0 109.817 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.415 ' O ' HG22 ' B' ' 42' ' ' VAL . 71.5 mt -67.72 165.45 17.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.779 -0.452 . . . . 15.0 109.779 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -54.0 -21.71 8.81 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.772 0.32 . . . . 15.0 111.618 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -59.38 -49.61 77.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.994 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -82.34 -25.74 33.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.721 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.415 HG22 ' O ' ' B' ' 38' ' ' LEU . 89.7 t -62.15 -45.45 98.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.381 . . . . 15.0 110.174 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . 0.533 ' HH ' ' HA ' ' B' ' 24' ' ' HIS . 16.1 m-30 -69.98 -31.08 68.6 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -65.19 -38.58 90.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.538 0.685 . . . . 15.0 109.321 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.76 -43.07 69.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.915 -1.038 . . . . 15.0 110.454 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.43 -23.51 56.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.91 -0.586 . . . . 15.0 112.398 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -36.88 85.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.011 0.434 . . . . 15.0 110.477 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 -92.84 -140.14 0.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.615 -0.721 . . . . 15.0 109.106 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -147.42 84.61 1.57 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.211 0.529 . . . . 15.0 110.168 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mp -120.6 151.34 39.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.647 -0.706 . . . . 15.0 109.67 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 27.2 p -92.85 156.94 16.65 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.283 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . 0.432 HG23 HD13 ' B' ' 52' ' ' ILE . 74.6 mt -80.34 131.57 33.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.085 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 5.9 t -91.06 117.09 33.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.129 -0.693 . . . . 15.0 109.129 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -94.31 110.56 22.31 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.214 0.53 . . . . 15.0 111.461 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.437 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -97.14 115.79 28.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.752 -0.832 . . . . 15.0 108.752 178.769 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 3.7 t70 71.53 -71.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.882 0.739 . . . . 15.0 111.064 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.79 22.66 0.1 OUTLIER Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.899 -0.667 . . . . 15.0 112.011 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' B' ' 59' ' ' PRO . 1.6 t30 -132.47 144.06 51.41 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 110.096 -0.335 . . . . 15.0 110.096 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 12.1 Cg_exo -69.49 122.88 9.63 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.665 2.244 . . . . 15.0 112.78 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -121.83 154.13 37.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.209 -0.663 . . . . 15.0 109.209 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.47 179.63 3.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.132 0.492 . . . . 15.0 111.14 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 25.9 t -119.41 123.22 70.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.606 -0.725 . . . . 15.0 109.456 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 6.4 p -77.78 171.98 14.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.905 0.383 . . . . 15.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.25 -31.72 65.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.652 -0.704 . . . . 15.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -56.93 5.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.866 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 37.1 m -69.59 -17.86 63.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 15.0 112.333 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.0 -48.96 67.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.779 0.323 . . . . 15.0 111.636 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -81.71 -11.47 59.03 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.288 -0.415 . . . . 15.0 111.617 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -72.46 -51.87 18.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.512 -0.313 . . . . 15.0 111.475 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.425 -0.798 . . . . 15.0 110.88 -178.443 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ptm . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 110.012 -0.366 . . . . 15.0 110.012 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -126.01 97.51 5.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.219 -0.446 . . . . 15.0 109.972 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.522 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -131.64 -165.36 1.57 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.943 -0.571 . . . . 15.0 110.472 -179.822 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.15 144.68 5.77 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 123.253 0.621 . . . . 15.0 111.556 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -81.95 7.21 43.22 Favored 'Cis proline' 0 C--N 1.352 0.743 0 C-N-CA 124.077 -1.218 . . . . 15.0 113.429 0.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.522 ' HB2' ' O ' ' A' ' 3' ' ' GLN . 2.5 mp0 -67.55 133.91 50.31 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.73 -0.47 . . . . 15.0 109.73 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -82.32 -21.56 36.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.154 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 63.41 72.77 0.53 Allowed Pre-proline 0 C--O 1.236 0.361 0 N-CA-C 109.563 -0.532 . . . . 15.0 109.563 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.91 161.08 38.07 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.593 2.195 . . . . 15.0 112.71 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -93.35 -5.22 50.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.833 -0.621 . . . . 15.0 110.975 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -115.2 133.15 56.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.105 0.479 . . . . 15.0 110.591 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.511 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 4.4 tp -53.22 -51.2 77.48 Favored Pre-proline 0 CA--C 1.538 0.515 0 N-CA-C 113.739 1.015 . . . . 15.0 113.739 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 7.7 Cg_endo -51.69 -37.97 65.41 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 122.214 1.943 . . . . 15.0 112.856 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -73.68 -36.53 65.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.477 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.22 -35.06 79.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.864 -0.607 . . . . 15.0 111.117 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.5 m -54.49 -37.12 64.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.099 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -42.81 73.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.427 -0.352 . . . . 15.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.72 -33.81 75.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.974 0.416 . . . . 15.0 110.753 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -85.24 -3.83 58.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.757 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 56.95 57.11 4.85 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.853 -0.612 . . . . 15.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 15.3 t -158.67 -175.12 5.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.137 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.16 169.6 9.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.593 -0.276 . . . . 15.0 110.766 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.0 mt -67.38 -7.65 6.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.487 0.661 . . . . 15.0 111.449 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -95.96 -9.38 31.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.202 -0.454 . . . . 15.0 110.65 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.404 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 22.5 t70 -123.52 -30.51 3.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 15.0 111.989 -178.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 tt -57.54 126.04 14.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.511 0.672 . . . . 15.0 111.834 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.8 mm -125.44 120.07 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.468 -0.787 . . . . 15.0 109.719 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mp -118.38 160.87 20.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.315 -0.402 . . . . 15.0 110.382 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -110.43 156.82 20.29 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.344 -0.389 . . . . 15.0 110.352 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 41.1 t -68.29 140.09 55.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.967 0.413 . . . . 15.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.13 -31.66 54.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.439 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -105.79 -49.95 3.29 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.22 0.452 . . . . 15.0 112.22 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 m -77.19 -23.77 51.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.612 0.227 . . . . 15.0 111.612 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER 61.05 24.12 14.25 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.129 0.49 . . . . 15.0 110.954 -179.54 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -88.61 156.37 19.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.868 -0.606 . . . . 15.0 109.788 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.419 HE21 ' HB3' ' A' ' 36' ' ' GLN . 3.3 mt-30 -77.13 119.89 21.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.977 0.417 . . . . 15.0 111.064 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -86.47 112.99 22.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.83 -0.623 . . . . 15.0 109.878 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.62 158.87 26.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.758 -0.46 . . . . 15.0 109.758 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -54.08 -21.07 7.59 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.859 0.318 . . . . 15.0 111.859 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -59.92 -47.28 86.44 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 110.133 -0.321 . . . . 15.0 110.133 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -75.95 -30.77 58.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 15.0 109.71 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.9 t -59.39 -41.22 83.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.312 -0.858 . . . . 15.0 110.305 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -64.67 -42.25 95.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.16 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.21 -30.26 70.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.93 -0.577 . . . . 15.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -65.24 -34.79 79.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.874 -0.603 . . . . 15.0 110.156 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.0 -35.0 22.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.937 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -69.66 -37.23 76.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.832 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 48' ' ' ARG . 65.6 mtt180 -93.91 175.59 6.66 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.662 -0.496 . . . . 15.0 109.662 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -100.61 82.24 2.42 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.265 0.555 . . . . 15.0 109.667 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.6 mt -118.62 156.83 28.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.061 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.39 148.43 40.67 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.11 -0.495 . . . . 15.0 109.988 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 12' ' ' LEU . 55.4 mt -80.29 137.55 21.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.874 -0.603 . . . . 15.0 110.752 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.22 115.23 48.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.587 -0.733 . . . . 15.0 109.841 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -93.12 110.21 21.7 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.966 -0.383 . . . . 15.0 109.966 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -91.67 111.69 23.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.764 -0.653 . . . . 15.0 109.919 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 t0 65.18 27.23 12.31 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.882 0.739 . . . . 15.0 111.005 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.37 31.23 47.1 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.741 -0.742 . . . . 15.0 112.552 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.408 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 2.1 m-20 -124.86 143.88 45.13 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 109.863 -0.421 . . . . 15.0 109.863 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 16.9 Cg_exo -66.28 105.86 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.611 2.207 . . . . 15.0 112.446 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -125.6 154.72 41.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.44 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.83 179.39 5.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.211 -0.449 . . . . 15.0 110.328 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -105.92 118.35 53.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.561 -0.533 . . . . 15.0 109.561 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 30.2 p -73.1 175.58 6.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.321 0.581 . . . . 15.0 111.568 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.67 -24.92 67.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.294 -0.866 . . . . 15.0 110.698 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -80.0 -57.42 3.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.882 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.5 m -68.49 -17.43 64.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 15.0 112.186 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.5 OUTLIER -50.87 -49.02 60.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.324 0.49 . . . . 15.0 112.324 -179.802 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.9 -12.06 57.68 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.829 0.307 . . . . 15.0 111.829 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -77.43 -52.43 9.13 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.6 0.593 . . . . 15.0 112.6 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 . . . . . 0 C--O 1.244 0.802 0 CA-C-O 118.546 -0.74 . . . . 15.0 111.544 -177.775 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.789 -0.448 . . . . 15.0 109.789 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.576 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -141.3 116.14 9.76 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.78 -0.452 . . . . 15.0 109.78 179.802 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -125.74 -168.12 1.8 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.252 -179.566 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . 0.419 ' HA ' ' C ' ' B' ' 5' ' ' PRO . 9.1 p-10 -61.54 158.27 41.0 Favored Pre-proline 0 C--O 1.234 0.278 0 O-C-N 123.385 0.428 . . . . 15.0 110.411 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.419 ' C ' ' HA ' ' B' ' 4' ' ' ASP . 37.7 Cg_endo -65.93 -10.32 6.22 Favored 'Cis proline' 0 N--CA 1.48 0.701 0 C-N-CA 124.388 -1.088 . . . . 15.0 114.141 1.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.444 ' HG2' ' CZ ' ' B' ' 2' ' ' PHE . 1.9 mp0 -67.05 147.13 53.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.786 0.327 . . . . 15.0 110.248 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -114.36 -12.27 12.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.571 -0.286 . . . . 15.0 110.754 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.576 ' HD3' ' O ' ' B' ' 2' ' ' PHE . 2.5 mtm180 64.86 78.86 0.26 Allowed Pre-proline 0 N--CA 1.465 0.286 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.607 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -63.39 159.6 39.25 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.158 1.905 . . . . 15.0 112.064 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -86.03 3.24 43.2 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.154 -0.475 . . . . 15.0 111.171 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -114.37 127.98 56.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.36 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 16.0 tp -51.65 -52.23 62.46 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 113.329 0.862 . . . . 15.0 113.329 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.8 Cg_endo -55.34 -37.6 94.47 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.186 1.924 . . . . 15.0 113.147 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -78.54 -32.06 47.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.998 0.427 . . . . 15.0 110.701 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -66.23 -35.49 80.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 15.0 109.936 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 61.2 m -62.17 -36.69 82.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.786 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.76 -40.28 84.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.462 -0.336 . . . . 15.0 110.725 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.42 -36.16 82.12 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.245 0.545 . . . . 15.0 109.865 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.67 -6.6 52.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.473 -0.785 . . . . 15.0 110.552 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 59.6 43.02 16.39 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.652 -0.704 . . . . 15.0 110.612 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -149.17 -172.2 4.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.519 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.0 p -112.91 172.5 6.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.821 0.343 . . . . 15.0 111.168 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 19.7 mt -68.96 -18.18 22.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.262 0.553 . . . . 15.0 110.682 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -80.13 -20.43 44.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.875 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -109.24 -19.88 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.019 0.378 . . . . 15.0 112.019 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 16.8 tt -63.74 135.36 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.267 0.556 . . . . 15.0 111.07 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 mm -124.22 128.51 73.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.619 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mp -133.04 160.1 38.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.265 -0.643 . . . . 15.0 109.265 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -116.17 157.71 24.4 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.646 -0.131 . . . . 15.0 110.646 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 46.7 t -67.34 136.95 55.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.126 0.488 . . . . 15.0 110.764 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.416 HG23 ' HG2' ' B' ' 55' ' ' ARG . 6.5 p -67.63 -24.13 30.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.375 -0.829 . . . . 15.0 111.606 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -108.05 -49.86 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.032 0.382 . . . . 15.0 112.032 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 2.9 m -80.7 -21.73 40.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.818 0.303 . . . . 15.0 111.818 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 64.12 19.15 11.64 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.124 0.487 . . . . 15.0 111.109 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -88.35 145.9 25.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.057 -0.52 . . . . 15.0 109.846 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -70.01 121.61 17.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.988 0.423 . . . . 15.0 110.635 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -83.54 120.72 26.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.557 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.403 ' O ' HG22 ' B' ' 42' ' ' VAL . 39.2 mt -71.69 157.63 37.6 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.171 -0.677 . . . . 15.0 109.171 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.35 -24.22 18.55 Favored 'General case' 0 C--O 1.225 -0.235 0 O-C-N 123.016 0.198 . . . . 15.0 111.18 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -58.13 -43.48 87.27 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.943 0.401 . . . . 15.0 110.214 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.4 -34.09 31.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.75 -0.659 . . . . 15.0 109.809 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.403 HG22 ' O ' ' B' ' 38' ' ' LEU . 52.7 t -60.9 -37.6 77.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.673 -0.694 . . . . 15.0 110.254 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -64.97 -42.24 94.74 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.626 -0.509 . . . . 15.0 109.626 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -64.43 -39.03 93.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.696 -0.684 . . . . 15.0 109.889 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -64.31 -35.53 81.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.372 -0.831 . . . . 15.0 110.922 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.07 -26.17 29.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.266 -0.424 . . . . 15.0 111.226 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -69.99 -38.07 75.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.139 0.495 . . . . 15.0 110.059 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -87.14 -177.67 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.699 -0.682 . . . . 15.0 109.198 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -109.99 85.67 2.15 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -125.15 163.35 22.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.749 -0.659 . . . . 15.0 110.697 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 13.1 m -109.8 152.66 25.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.653 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 53.6 mt -84.63 122.76 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.086 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 17.0 t -90.66 113.68 26.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.112 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -92.97 109.06 20.5 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.955 0.407 . . . . 15.0 110.591 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.416 ' HG2' HG23 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -80.93 108.41 14.58 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 108.803 -0.814 . . . . 15.0 108.803 179.324 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 20.4 t70 69.79 -76.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 124.066 0.854 . . . . 15.0 110.539 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.1 32.48 0.37 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.082 -0.58 . . . . 15.0 112.273 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -133.6 137.1 28.09 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.234 -0.284 . . . . 15.0 110.234 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.63 114.81 2.22 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.824 2.35 . . . . 15.0 112.516 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -127.29 148.32 50.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.011 -0.54 . . . . 15.0 109.837 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.33 177.16 5.29 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.549 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 3.6 t -111.15 122.41 65.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.709 -0.478 . . . . 15.0 109.709 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.45 168.99 16.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.792 0.33 . . . . 15.0 110.585 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.37 -29.52 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.657 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -69.33 -57.72 4.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 15.0 110.607 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 58.8 m -66.6 -23.41 66.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.0 -0.545 . . . . 15.0 111.904 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.48 -39.48 80.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.17 0.51 . . . . 15.0 111.577 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -82.65 -25.91 32.66 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.209 -0.45 . . . . 15.0 111.036 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -78.74 -42.68 27.52 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.806 0.669 . . . . 15.0 112.806 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.529 -0.748 . . . . 15.0 111.197 -178.64 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.463 ' HB2' ' OE1' ' A' ' 3' ' ' GLN . 19.8 ptm . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.957 0.408 . . . . 15.0 110.765 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -140.2 82.28 1.85 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.412 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -111.85 -158.65 0.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.028 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.54 157.22 48.39 Favored Pre-proline 0 CA--C 1.536 0.434 0 O-C-N 123.184 0.302 . . . . 15.0 110.792 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.18 -1.49 15.58 Favored 'Cis proline' 0 C--N 1.352 0.763 0 C-N-CA 123.957 -1.268 . . . . 15.0 113.735 1.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 3' ' ' GLN . 2.0 mp0 -63.24 126.96 29.14 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -81.54 -11.89 59.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.031 -0.531 . . . . 15.0 110.586 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.86 71.6 0.8 Allowed Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 15.0 109.75 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.07 154.6 73.99 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.229 1.952 . . . . 15.0 112.054 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -90.79 4.07 52.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.953 0.406 . . . . 15.0 110.507 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -115.22 127.6 55.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.64 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.546 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 13.1 tp -52.58 -49.08 87.99 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 115.163 -0.926 . . . . 15.0 113.395 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 7.8 Cg_endo -51.68 -34.4 53.44 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.471 2.114 . . . . 15.0 113.072 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -81.09 -36.23 30.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.491 -0.322 . . . . 15.0 110.71 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.34 -35.34 75.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.574 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -59.05 -39.2 81.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.809 -0.632 . . . . 15.0 110.318 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.05 -36.21 74.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 15.0 110.78 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -66.38 -38.33 87.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.603 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 mt -87.77 0.34 55.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 15.0 110.821 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 56.07 51.74 11.49 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.734 -0.666 . . . . 15.0 111.827 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -153.26 -174.69 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.916 -0.401 . . . . 15.0 109.916 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.8 p -111.71 169.26 8.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.852 0.358 . . . . 15.0 111.596 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.8 mt -66.59 -16.38 20.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.835 -0.62 . . . . 15.0 110.708 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -92.87 2.99 56.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.796 -0.638 . . . . 15.0 111.346 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -133.21 -27.34 1.6 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.938 0.348 . . . . 15.0 111.938 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.4 tt -65.33 127.98 27.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.307 0.575 . . . . 15.0 111.009 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 mm -116.91 128.24 74.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.123 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mp -130.17 148.89 52.06 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.882 -0.599 . . . . 15.0 109.967 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -106.56 159.44 16.18 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.118 -0.327 . . . . 15.0 110.118 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 43.4 t -67.25 143.11 56.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.163 0.506 . . . . 15.0 110.673 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.54 -29.25 37.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.822 -0.626 . . . . 15.0 111.231 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -105.41 -45.57 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.089 0.403 . . . . 15.0 112.089 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.5 m -83.07 -23.85 32.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.682 0.277 . . . . 15.0 111.609 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 5.2 mptt 63.21 20.76 12.47 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.049 -0.523 . . . . 15.0 111.222 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -87.81 144.75 26.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.079 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -71.01 113.71 8.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.661 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.51 135.98 52.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.026 0.441 . . . . 15.0 110.188 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.0 mt -74.02 159.75 32.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.963 -0.562 . . . . 15.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -53.19 -36.88 61.44 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.194 0.308 . . . . 15.0 111.603 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -65.7 -38.69 89.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.483 -0.326 . . . . 15.0 110.614 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.1 -33.77 76.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.116 0.484 . . . . 15.0 109.732 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 38' ' ' LEU . 26.4 t -67.37 -37.56 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.104 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -67.42 -41.21 85.22 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.015 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.03 -33.68 75.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.522 -0.763 . . . . 15.0 110.221 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -61.92 -32.74 73.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.659 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.13 -25.5 27.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.786 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -50.17 16.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.136 -0.484 . . . . 15.0 109.935 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -80.76 143.75 32.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.135 -0.691 . . . . 15.0 109.135 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -77.53 95.31 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.094 0.474 . . . . 15.0 110.084 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.9 mt -127.15 -179.9 5.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.81 -0.632 . . . . 15.0 110.862 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.7 p -131.32 151.78 51.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.792 -0.64 . . . . 15.0 110.063 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.9 mt -85.37 128.09 39.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.438 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.6 m -102.14 114.57 41.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.242 0.544 . . . . 15.0 110.257 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -94.35 110.2 21.99 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.396 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -84.75 113.53 21.39 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.9 -0.778 . . . . 15.0 108.9 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.59 -81.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 124.013 0.821 . . . . 15.0 110.622 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.75 38.61 0.51 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.067 -0.813 . . . . 15.0 111.067 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -137.16 145.17 49.0 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 110.177 -0.305 . . . . 15.0 110.177 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -74.1 106.67 2.26 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.456 2.104 . . . . 15.0 112.371 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -113.49 154.35 27.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.376 -0.375 . . . . 15.0 110.041 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.61 178.85 4.52 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.915 0.388 . . . . 15.0 110.545 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -117.74 119.41 61.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.308 -0.627 . . . . 15.0 109.308 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.7 p -73.7 169.78 16.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.083 -0.34 . . . . 15.0 110.083 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.12 -16.7 54.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.326 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 30.5 mtpt -75.41 -58.8 3.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.277 0.56 . . . . 15.0 110.27 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -72.57 -21.82 61.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.358 -0.837 . . . . 15.0 111.693 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.4 mt -56.0 -32.07 63.63 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.56 0.578 . . . . 15.0 112.56 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 1.8 pttp -82.13 -26.38 33.57 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.503 -0.479 . . . . 15.0 110.558 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -78.49 -44.01 25.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 15.0 111.874 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 C--O 1.241 0.613 0 CA-C-O 118.252 -0.88 . . . . 15.0 111.31 -177.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 109.907 -0.405 . . . . 15.0 109.907 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.465 ' HB2' ' HD3' ' B' ' 59' ' ' PRO . 0.1 OUTLIER -154.33 137.89 15.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.134 -0.321 . . . . 15.0 110.134 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -127.23 -172.2 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.15 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . 0.502 ' HB2' ' HA ' ' B' ' 5' ' ' PRO . 0.7 OUTLIER -72.69 162.97 71.56 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 115.706 -0.679 . . . . 15.0 109.719 179.51 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.502 ' HA ' ' HB2' ' B' ' 4' ' ' ASP . 67.7 Cg_endo -93.19 30.71 13.18 Favored 'Cis proline' 0 C--N 1.348 0.54 0 C-N-CA 124.491 -1.045 . . . . 15.0 113.601 0.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -76.21 121.2 22.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.753 -0.462 . . . . 15.0 109.753 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -70.31 -14.51 62.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.317 -0.401 . . . . 15.0 111.632 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.412 ' HB3' ' CZ ' ' B' ' 54' ' ' TYR . 37.6 mtt85 68.95 101.97 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.375 0 O-C-N 123.657 0.598 . . . . 15.0 111.899 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -76.34 163.89 31.71 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 122.565 2.177 . . . . 15.0 111.952 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -98.24 -1.09 42.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -108.67 135.13 50.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.564 0.221 . . . . 15.0 110.794 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.47 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 54.4 tp -55.75 -52.3 73.26 Favored Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 112.559 0.578 . . . . 15.0 112.559 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.2 Cg_endo -56.18 -38.09 95.5 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 122.005 1.803 . . . . 15.0 112.288 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -66.39 -39.35 88.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 15.0 110.571 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.8 tp -66.57 -34.52 78.08 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.36 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.4 m -61.27 -38.15 85.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.478 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -30.92 67.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 15.0 110.767 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -65.48 -40.39 93.04 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.126 0.488 . . . . 15.0 110.091 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 13.8 mt -85.28 -4.19 59.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.511 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 60.03 52.41 5.2 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.496 -0.775 . . . . 15.0 111.093 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.1 t -150.39 -173.46 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.585 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 34.5 p -102.98 167.26 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 15.0 111.495 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.73 -25.74 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.769 -0.65 . . . . 15.0 110.882 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -89.3 8.56 29.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.261 -0.427 . . . . 15.0 111.091 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -128.1 -31.54 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.977 -0.289 . . . . 15.0 111.697 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 13.6 tt -58.88 117.58 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.285 0.564 . . . . 15.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -92.02 108.89 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.077 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tp -109.61 153.37 24.3 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.437 ' HG3' ' CD1' ' B' ' 60' ' ' TYR . 5.8 pt-20 -116.62 149.88 38.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.245 -0.434 . . . . 15.0 110.794 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 40.5 m -66.44 136.37 55.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.772 0.32 . . . . 15.0 110.701 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.408 ' HA ' ' CD1' ' B' ' 60' ' ' TYR . 2.8 p -60.59 -43.37 94.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.718 -0.674 . . . . 15.0 112.688 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -102.78 -43.93 5.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.083 0.401 . . . . 15.0 112.083 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.12 -29.77 70.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.472 0.177 . . . . 15.0 111.27 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 tptp 59.07 44.68 15.74 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.425 0.631 . . . . 15.0 111.594 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -129.11 169.18 15.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.991 -0.744 . . . . 15.0 108.991 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -76.17 122.93 25.05 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.987 -0.285 . . . . 15.0 110.488 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.29 134.32 56.84 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.532 ' HB2' ' OE1' ' B' ' 41' ' ' GLU . 89.2 mt -70.61 150.24 46.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.755 0.312 . . . . 15.0 110.755 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -52.09 -41.47 62.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.646 -0.706 . . . . 15.0 112.172 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -72.09 -33.04 67.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.458 -0.337 . . . . 15.0 111.048 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.532 ' OE1' ' HB2' ' B' ' 38' ' ' LEU . 2.7 mp0 -67.43 -33.15 74.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.995 0.426 . . . . 15.0 110.768 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 38' ' ' LEU . 33.5 t -60.97 -34.4 59.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.966 -0.561 . . . . 15.0 110.033 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -63.64 -39.67 94.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.724 -0.671 . . . . 15.0 111.238 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.98 -37.15 86.36 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.984 0.421 . . . . 15.0 110.201 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -64.3 -34.09 77.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.651 -0.704 . . . . 15.0 110.713 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.69 -12.97 46.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.181 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.01 -51.82 5.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 15.0 110.738 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -101.79 179.12 4.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.979 -0.555 . . . . 15.0 111.013 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -104.93 97.75 7.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.94 0.4 . . . . 15.0 110.144 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mp -106.95 -29.36 9.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.997 -0.547 . . . . 15.0 111.145 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 49.4 t 73.93 142.27 0.07 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.923 0.764 . . . . 15.0 110.66 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 25.6 mt -80.34 123.95 37.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.902 0.382 . . . . 15.0 110.716 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 m -93.22 124.82 45.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.468 -0.568 . . . . 15.0 109.468 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.412 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 71.5 m-85 -105.71 109.66 21.7 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.145 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.478 ' C ' ' H ' ' B' ' 57' ' ' GLY . 5.0 mmm180 -100.11 119.12 37.83 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.833 -0.802 . . . . 15.0 108.833 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t70 74.27 -34.97 0.29 Allowed 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.749 0.656 . . . . 15.0 110.815 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' B' ' 55' ' ' ARG . . . 147.57 -2.09 0.76 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.515 -0.634 . . . . 15.0 111.515 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -97.16 141.04 22.45 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 110.056 -0.35 . . . . 15.0 110.056 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.465 ' HD3' ' HB2' ' B' ' 2' ' ' PHE . 43.6 Cg_endo -70.57 114.2 3.76 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.478 2.119 . . . . 15.0 112.199 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . 0.437 ' CD1' ' HG3' ' B' ' 29' ' ' GLU . 58.0 m-85 -112.81 155.3 24.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 15.0 110.02 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.99 163.21 13.33 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.117 -0.492 . . . . 15.0 111.015 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 20.0 t -119.7 112.32 36.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.07 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 3.4 p -92.36 173.09 7.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.662 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -60.12 -26.25 66.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.485 0.66 . . . . 15.0 109.385 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 1.3 mtpt -66.34 -51.54 56.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.016 -0.993 . . . . 15.0 109.945 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 78.0 m -65.51 -37.02 85.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.74 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.3 -41.04 96.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 15.0 111.841 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 14.7 pttp -80.58 -22.56 40.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 15.0 110.787 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -76.97 -47.7 20.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 15.0 111.714 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.27 -0.871 . . . . 15.0 110.61 -179.032 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.416 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 27.9 ptm . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.798 0.332 . . . . 15.0 110.338 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.521 ' CZ ' ' HG2' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -145.24 110.59 5.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.037 -0.528 . . . . 15.0 109.878 179.424 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -134.01 -160.7 1.07 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.99 -0.55 . . . . 15.0 110.144 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.482 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 26.6 t70 -49.11 144.48 7.82 Favored Pre-proline 0 N--CA 1.471 0.591 0 O-C-N 123.498 0.499 . . . . 15.0 111.167 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.482 ' HA ' ' OD1' ' A' ' 4' ' ' ASP . 86.3 Cg_endo -84.16 10.27 47.96 Favored 'Cis proline' 0 C--N 1.35 0.631 0 C-N-CA 124.119 -1.2 . . . . 15.0 114.031 0.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.521 ' HG2' ' CZ ' ' A' ' 2' ' ' PHE . 1.3 mp0 -78.19 117.11 19.15 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.725 -0.472 . . . . 15.0 109.725 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 25.4 tp10 -74.85 -33.81 62.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.324 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.504 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 24.9 mtm180 77.43 86.53 0.08 OUTLIER Pre-proline 0 N--CA 1.466 0.331 0 O-C-N 124.267 0.98 . . . . 15.0 111.393 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.8 169.34 22.27 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.577 2.185 . . . . 15.0 111.38 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -94.17 6.27 49.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.964 0.411 . . . . 15.0 111.114 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -120.45 136.47 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.331 0.586 . . . . 15.0 110.757 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.551 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.7 tp -56.4 -50.54 87.08 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 114.848 -1.069 . . . . 15.0 113.857 -178.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.1 Cg_endo -48.38 -46.59 22.75 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.829 2.353 . . . . 15.0 113.897 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -77.66 -31.22 52.47 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.67 0.248 . . . . 15.0 111.67 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.35 -35.52 79.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 15.0 110.711 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 m -60.36 -40.03 89.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.108 -0.497 . . . . 15.0 110.712 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.62 94.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 15.0 111.12 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.43 -32.86 74.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.029 0.443 . . . . 15.0 110.096 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.495 ' HG ' ' CZ ' ' A' ' 2' ' ' PHE . 1.7 mt -83.17 -2.68 56.11 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.919 -0.582 . . . . 15.0 109.963 178.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 60.4 31.96 20.49 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.212 -0.904 . . . . 15.0 111.521 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 t -138.28 179.39 6.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.872 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 p -99.31 171.42 7.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.016 0.436 . . . . 15.0 111.383 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.6 mt -68.22 -14.98 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.575 0.703 . . . . 15.0 110.399 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -86.51 -15.79 38.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.653 -0.703 . . . . 15.0 111.392 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -111.97 -23.59 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.86 0.319 . . . . 15.0 111.86 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.6 tt -64.35 121.98 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.483 0.659 . . . . 15.0 111.445 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -115.57 123.97 71.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.832 -0.622 . . . . 15.0 110.072 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.23 152.06 38.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.408 -0.36 . . . . 15.0 110.521 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.75 153.4 23.52 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.105 -0.331 . . . . 15.0 110.105 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.62 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 49.7 t -68.14 145.11 54.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.151 0.501 . . . . 15.0 111.153 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.26 -27.5 10.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.823 -0.626 . . . . 15.0 111.3 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -88.63 -62.44 1.49 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.356 0.502 . . . . 15.0 112.356 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.451 ' SG ' ' NZ ' ' A' ' 65' ' ' LYS . 1.7 p -89.61 -9.07 51.09 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.111 0.411 . . . . 15.0 112.111 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.62 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 7.1 mptt 61.5 29.24 18.28 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.248 -0.433 . . . . 15.0 111.602 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -85.32 149.1 25.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.599 -0.273 . . . . 15.0 110.43 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -80.22 113.65 18.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.827 -0.435 . . . . 15.0 109.827 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -78.26 131.53 37.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.258 -0.428 . . . . 15.0 111.178 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.6 mt -75.89 154.7 35.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.965 -0.561 . . . . 15.0 109.598 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -54.05 -30.67 48.8 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.279 0.362 . . . . 15.0 111.434 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -56.88 -48.26 78.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.868 -0.605 . . . . 15.0 111.183 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -73.77 -31.16 63.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.022 -0.535 . . . . 15.0 110.422 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.75 -36.6 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.035 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -66.65 -34.29 77.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.819 0.342 . . . . 15.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -25.1 61.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.036 0.446 . . . . 15.0 110.421 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -62.88 -34.87 78.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.661 -0.699 . . . . 15.0 110.129 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.74 -26.97 27.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.728 -0.669 . . . . 15.0 110.611 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -40.6 83.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.698 -0.683 . . . . 15.0 110.732 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -93.94 178.09 5.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 15.0 109.997 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -95.4 93.29 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.129 0.49 . . . . 15.0 109.992 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.9 mt -135.86 159.31 42.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.688 -0.687 . . . . 15.0 110.682 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.0 m -122.75 154.36 38.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.036 -0.529 . . . . 15.0 109.72 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.0 mt -80.79 126.3 39.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.11 0.481 . . . . 15.0 110.846 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.73 124.66 43.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.501 -0.772 . . . . 15.0 109.843 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.504 ' CE2' ' HB3' ' A' ' 8' ' ' ARG . 33.8 m-85 -103.79 110.07 22.03 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.876 0.37 . . . . 15.0 111.485 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.42 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 4.2 tmm_? -92.85 116.36 28.96 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.731 -0.84 . . . . 15.0 108.731 178.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 23.8 t70 73.67 -60.2 0.54 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.992 0.807 . . . . 15.0 110.675 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.39 28.81 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.367 -0.693 . . . . 15.0 111.367 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 29.8 m-80 -128.16 149.59 71.57 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 109.688 -0.486 . . . . 15.0 109.688 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.63 118.12 5.34 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.539 2.159 . . . . 15.0 112.973 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 55' ' ' ARG . 70.0 m-85 -122.43 158.51 29.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.904 -0.589 . . . . 15.0 109.772 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -122.26 -173.12 2.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.549 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.2 t -129.65 119.17 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.07 -0.514 . . . . 15.0 109.637 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 7.1 p -78.55 171.39 15.18 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.376 -0.231 . . . . 15.0 110.376 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -53.71 -37.17 63.02 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.002 0.371 . . . . 15.0 112.002 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.451 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -65.06 -57.11 9.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.894 0.378 . . . . 15.0 111.275 -179.138 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.0 m -70.84 -20.96 62.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.102 -0.499 . . . . 15.0 111.323 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.5 OUTLIER -56.27 -51.36 68.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.034 179.613 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.443 ' H ' ' HG2' ' A' ' 68' ' ' LYS . 1.7 pttt -80.06 -14.58 58.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.576 -0.284 . . . . 15.0 110.824 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -77.1 -52.6 9.01 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.407 -0.361 . . . . 15.0 110.81 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.785 -0.626 . . . . 15.0 111.282 -179.557 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.804 -0.443 . . . . 15.0 109.804 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.493 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -138.03 111.15 7.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.976 0.417 . . . . 15.0 110.091 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.506 ' HA ' ' NH1' ' B' ' 8' ' ' ARG . 0.7 OUTLIER -131.32 -168.35 1.99 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.824 -0.625 . . . . 15.0 109.524 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -55.68 153.56 15.39 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 110.208 -0.293 . . . . 15.0 110.208 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -87.44 20.77 27.22 Favored 'Cis proline' 0 N--CA 1.461 -0.385 0 C-N-CA 123.686 -1.381 . . . . 15.0 113.289 0.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -69.79 143.57 52.91 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.757 -0.46 . . . . 15.0 109.757 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' B' ' 8' ' ' ARG . 36.8 tt0 -78.97 -33.31 45.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.128 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.506 ' NH1' ' HA ' ' B' ' 3' ' ' GLN . 45.0 mtm180 68.92 82.36 0.19 Allowed Pre-proline 0 C--O 1.234 0.286 0 O-C-N 123.71 0.632 . . . . 15.0 110.601 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.44 174.45 12.81 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.827 2.351 . . . . 15.0 112.555 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -100.88 -12.3 19.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.352 -0.385 . . . . 15.0 111.742 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -105.57 137.66 43.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.718 0.294 . . . . 15.0 110.934 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.525 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 27.8 tp -56.18 -50.54 86.91 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 115.86 -0.609 . . . . 15.0 112.211 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.7 Cg_endo -53.2 -38.5 81.43 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.149 1.899 . . . . 15.0 112.237 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -71.08 -38.58 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 15.0 110.218 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.83 -36.21 80.51 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.115 -0.493 . . . . 15.0 109.813 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 54.7 m -62.25 -39.95 94.55 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.588 -0.733 . . . . 15.0 110.025 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -65.26 -41.75 93.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.06 -0.518 . . . . 15.0 110.635 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.75 -36.02 82.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 15.0 110.38 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.41 -2.79 54.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.526 . . . . 15.0 110.833 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 62.36 42.2 9.34 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.951 -0.568 . . . . 15.0 111.725 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -147.98 -174.4 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.825 -0.435 . . . . 15.0 109.825 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.43 173.47 6.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.952 0.406 . . . . 15.0 111.444 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 13.0 mt -67.91 -7.35 6.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.842 -0.617 . . . . 15.0 111.266 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -95.46 -0.17 52.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.143 -0.48 . . . . 15.0 111.077 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -132.58 -33.5 1.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.158 0.429 . . . . 15.0 112.158 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.4 tt -58.48 118.78 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.623 0.725 . . . . 15.0 111.624 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 41.8 mm -104.77 111.03 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.531 -0.759 . . . . 15.0 109.933 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tp -109.49 147.25 33.23 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.64 -0.504 . . . . 15.0 109.64 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -102.92 158.55 16.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.653 0.263 . . . . 15.0 110.582 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 36.9 t -77.48 142.8 38.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.256 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 p -75.83 -25.31 17.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.041 -0.527 . . . . 15.0 111.272 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -98.49 -64.13 1.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.684 0.253 . . . . 15.0 111.684 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . 0.419 ' HB2' ' HG2' ' B' ' 35' ' ' GLN . 0.7 OUTLIER -70.24 -22.07 62.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.313 -0.403 . . . . 15.0 111.853 -178.663 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 44.6 mmtm 65.63 24.26 11.65 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.093 0.473 . . . . 15.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.419 ' HG2' ' HB2' ' B' ' 33' ' ' CYS . 0.0 OUTLIER -94.32 149.8 20.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.236 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -80.81 113.25 18.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.654 -0.869 . . . . 15.0 108.654 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -55.77 131.67 47.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.737 -0.665 . . . . 15.0 112.106 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 34.8 mt -73.92 170.22 15.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.352 -0.84 . . . . 15.0 109.859 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -52.46 -45.18 65.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.656 -0.247 . . . . 15.0 111.418 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -62.69 -41.04 98.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.563 -0.29 . . . . 15.0 111.235 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -64.99 -40.89 95.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.797 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.08 -40.36 85.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 121.243 0.544 . . . . 15.0 109.846 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -63.9 -35.72 81.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.517 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.18 -39.97 90.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.041 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.27 -40.63 86.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.832 -0.622 . . . . 15.0 111.129 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.7 -20.73 38.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.916 0.389 . . . . 15.0 111.573 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -77.19 -26.06 52.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.763 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -107.64 173.73 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.501 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -93.53 88.1 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.799 0.809 . . . . 15.0 109.692 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mp -129.17 162.47 27.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.767 -0.652 . . . . 15.0 111.05 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.02 155.28 31.69 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.282 179.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 15.9 mt -79.88 129.34 37.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.98 0.419 . . . . 15.0 110.87 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.2 m -95.31 113.88 30.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.945 -0.57 . . . . 15.0 110.042 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -94.47 109.98 21.81 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.899 -0.591 . . . . 15.0 111.037 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -93.23 104.93 17.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.418 -0.956 . . . . 15.0 108.418 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 9.3 t0 70.24 -71.96 0.12 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.0 0.813 . . . . 15.0 110.562 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.98 17.18 0.38 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.059 -0.816 . . . . 15.0 111.059 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.445 ' HB3' ' CE2' ' B' ' 60' ' ' TYR . 2.3 t-20 -117.27 121.84 31.81 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.544 -0.328 . . . . 15.0 110.803 -179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -74.25 101.59 1.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.577 2.184 . . . . 15.0 111.308 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' B' ' 58' ' ' ASN . 47.7 m-85 -101.18 165.2 11.42 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.777 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.59 174.93 6.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.993 -0.549 . . . . 15.0 110.717 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 20.0 t -118.58 115.92 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.949 -0.569 . . . . 15.0 109.945 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 1.2 p -79.67 173.44 12.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.37 -0.377 . . . . 15.0 111.469 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.24 -36.85 73.81 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.28 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 0.1 OUTLIER -60.28 -49.92 75.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.883 -0.599 . . . . 15.0 110.963 -179.49 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 6.5 m -71.99 -31.09 65.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.983 0.421 . . . . 15.0 110.729 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.16 -41.17 94.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 15.0 112.045 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 11.1 ptmt -67.46 -24.17 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.57 0.224 . . . . 15.0 110.931 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -76.82 -26.27 54.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.344 . . . . 15.0 111.024 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.505 -0.76 . . . . 15.0 111.061 -179.619 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptm . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.686 0.279 . . . . 15.0 110.359 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.62 102.75 4.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.137 0.494 . . . . 15.0 109.676 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.424 ' HB2' ' H ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -132.01 -151.54 0.46 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.142 -179.238 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.424 ' H ' ' HB2' ' A' ' 3' ' ' GLN . 0.2 OUTLIER -57.86 149.66 52.92 Favored Pre-proline 0 C--O 1.233 0.228 0 C-N-CA 122.17 0.188 . . . . 15.0 110.954 179.706 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -85.43 4.14 64.43 Favored 'Cis proline' 0 C--N 1.346 0.412 0 C-N-CA 123.871 -1.304 . . . . 15.0 113.121 0.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.48 138.69 57.71 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -89.25 -16.98 29.94 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.796 -0.361 . . . . 15.0 110.737 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 65.84 85.42 0.16 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 15.0 110.507 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.458 ' HD3' ' OE1' ' A' ' 18' ' ' GLU . 12.2 Cg_exo -70.9 163.01 40.67 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.848 2.365 . . . . 15.0 111.784 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -94.33 -11.25 30.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.942 0.401 . . . . 15.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -109.34 131.13 55.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 15.0 109.919 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.559 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 30.7 tp -52.35 -48.22 90.27 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 113.8 1.037 . . . . 15.0 113.8 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.7 Cg_endo -49.66 -34.46 35.0 Favored 'Trans proline' 0 C--N 1.358 1.048 0 C-N-CA 122.84 2.36 . . . . 15.0 113.999 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -87.83 -30.31 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.104 -0.239 . . . . 15.0 111.347 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 tp -61.99 -37.77 86.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 15.0 110.543 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.488 ' SG ' HG12 ' A' ' 23' ' ' ILE . 23.8 m -62.31 -35.29 78.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.674 -0.694 . . . . 15.0 110.851 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -66.3 -40.59 90.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.461 . . . . 15.0 111.218 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.458 ' OE1' ' HD3' ' A' ' 9' ' ' PRO . 9.2 mt-10 -65.1 -34.73 79.11 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.001 0.429 . . . . 15.0 110.196 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.24 -0.2 51.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.888 -0.596 . . . . 15.0 110.933 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 59.87 37.84 21.52 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.045 -0.525 . . . . 15.0 111.527 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 t -135.63 -175.91 4.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.113 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 p -118.44 164.74 14.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.71 0.291 . . . . 15.0 111.203 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.488 HG12 ' SG ' ' A' ' 16' ' ' CYS . 8.0 mt -73.2 1.53 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 121.767 0.794 . . . . 15.0 110.119 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.498 ' HA ' ' HH ' ' A' ' 43' ' ' TYR . 16.8 m-70 -102.43 1.06 34.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.487 -0.779 . . . . 15.0 110.819 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -136.62 -31.89 0.85 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.68 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.8 tt -64.49 122.08 14.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.514 0.673 . . . . 15.0 111.096 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.2 mm -111.34 106.68 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.971 -0.558 . . . . 15.0 110.192 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.9 156.13 16.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.119 -0.491 . . . . 15.0 109.951 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -107.61 158.32 17.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.147 -0.479 . . . . 15.0 110.085 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 46.1 t -69.35 143.07 53.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.222 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -73.76 -27.78 23.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.333 -0.394 . . . . 15.0 110.711 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -100.54 -57.54 2.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.173 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 m -69.72 -25.59 63.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.645 -0.252 . . . . 15.0 111.123 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 43.0 mttp 59.35 40.0 21.6 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.343 0.592 . . . . 15.0 110.711 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -119.44 152.94 36.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.542 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -70.49 123.67 22.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.887 0.375 . . . . 15.0 111.575 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp -83.89 133.38 34.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.791 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.52 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . 51.2 mt -72.93 157.6 37.11 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.105 -0.702 . . . . 15.0 109.105 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -57.37 -24.84 57.76 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.88 0.326 . . . . 15.0 111.88 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -60.1 -52.56 64.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.883 0.373 . . . . 15.0 110.621 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.52 ' OE1' ' HB2' ' A' ' 38' ' ' LEU . 1.2 pm0 -75.86 -23.84 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.395 -0.366 . . . . 15.0 110.873 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.85 -43.63 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.459 -0.571 . . . . 15.0 109.459 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.498 ' HH ' ' HA ' ' A' ' 24' ' ' HIS . 22.3 m-85 -71.14 -36.96 72.26 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.609 -0.515 . . . . 15.0 109.609 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -62.78 -36.95 84.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.315 -0.857 . . . . 15.0 109.831 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -67.75 -45.17 75.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.334 -0.848 . . . . 15.0 110.338 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.08 -13.18 60.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.728 -0.669 . . . . 15.0 111.829 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -72.45 -27.69 62.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.143 0.497 . . . . 15.0 110.282 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -104.52 162.2 13.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.009 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -81.79 62.27 5.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.465 0.65 . . . . 15.0 110.957 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.7 mt -92.06 174.41 7.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.468 -0.787 . . . . 15.0 109.874 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.5 m -132.96 157.91 43.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.851 0.358 . . . . 15.0 110.651 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.4 HD11 ' HA ' ' A' ' 12' ' ' LEU . 72.8 mt -80.71 134.73 26.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.825 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.8 t -99.32 127.15 52.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.883 -0.784 . . . . 15.0 108.883 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -100.3 109.16 21.36 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.184 0.516 . . . . 15.0 111.435 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 1.5 tmm_? -85.22 105.07 15.65 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.031 -0.729 . . . . 15.0 109.031 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.433 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 9.8 t70 72.47 -57.87 0.61 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.998 0.811 . . . . 15.0 111.432 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.13 34.74 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.536 -0.626 . . . . 15.0 111.536 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -142.64 137.36 15.21 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.687 -0.486 . . . . 15.0 109.687 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -68.02 123.06 10.21 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.764 2.309 . . . . 15.0 113.242 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -126.7 154.0 44.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.641 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.04 -177.08 3.16 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.128 0.489 . . . . 15.0 110.878 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.4 t -115.55 121.01 66.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.485 -0.78 . . . . 15.0 108.988 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 28.4 p -71.6 179.57 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.496 0.665 . . . . 15.0 111.907 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.44 -22.69 65.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.221 -0.9 . . . . 15.0 110.708 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -82.06 -56.68 3.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.513 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.402 ' HA ' ' CD1' ' A' ' 69' ' ' PHE . 58.4 m -66.83 -16.32 64.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.667 -0.697 . . . . 15.0 112.156 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 tp -50.33 -45.96 55.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.235 0.541 . . . . 15.0 112.125 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.453 ' H ' ' HG2' ' A' ' 68' ' ' LYS . 3.0 pttp -81.62 -9.84 59.57 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.981 -0.554 . . . . 15.0 111.982 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.402 ' CD1' ' HA ' ' A' ' 66' ' ' CYS . 20.3 m-85 -75.31 -51.9 12.12 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.167 0.432 . . . . 15.0 112.167 -178.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.157 -0.925 . . . . 15.0 111.418 -178.144 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.875 0.369 . . . . 15.0 110.903 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.95 153.35 29.44 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.955 -0.387 . . . . 15.0 109.955 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.41 -166.71 1.11 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.888 -0.412 . . . . 15.0 109.888 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.29 135.56 25.08 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.708 -0.224 . . . . 15.0 110.743 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.412 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 8.9 Cg_endo -92.3 -61.26 0.03 OUTLIER 'Cis proline' 0 CA--C 1.534 0.512 0 C-N-CA 124.299 -1.126 . . . . 15.0 112.634 -1.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' B' ' 5' ' ' PRO . 14.8 mm100 72.83 7.69 5.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.921 0.888 . . . . 15.0 112.664 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 69.02 -56.37 0.54 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.157 0.583 . . . . 15.0 112.331 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 71.25 84.05 0.14 Allowed Pre-proline 0 C--O 1.234 0.253 0 C-N-CA 123.422 0.689 . . . . 15.0 110.275 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.36 158.17 54.97 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.661 2.241 . . . . 15.0 112.561 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 -99.57 8.89 44.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.289 -0.414 . . . . 15.0 111.178 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -115.09 133.31 56.15 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.894 -0.409 . . . . 15.0 109.894 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 33.1 tp -54.57 -52.33 70.79 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 113.375 0.88 . . . . 15.0 113.375 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 10.0 Cg_endo -52.7 -39.77 75.53 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.238 1.959 . . . . 15.0 112.912 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -76.0 -33.81 59.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.543 -0.299 . . . . 15.0 110.917 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 tp -65.78 -35.43 80.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.011 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.9 m -59.41 -38.36 80.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.068 0.461 . . . . 15.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -28.82 67.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.05 -0.523 . . . . 15.0 111.7 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -68.71 -29.72 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 15.0 110.987 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.64 12.05 35.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 15.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 53.94 51.47 14.69 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.174 -0.466 . . . . 15.0 111.545 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -148.81 -176.72 5.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.667 0.27 . . . . 15.0 110.774 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.65 172.03 7.63 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.3 mt -56.62 -43.35 78.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 15.0 111.784 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.17 51.82 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.773 0.32 . . . . 15.0 111.569 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -168.86 -39.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.527 . . . . 15.0 110.069 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.3 tt -72.01 129.52 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.06 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 mm -113.73 131.67 64.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.314 -0.403 . . . . 15.0 111.252 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -122.76 149.69 43.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.93 -0.577 . . . . 15.0 109.82 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.33 156.62 16.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.199 -0.297 . . . . 15.0 110.199 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . 0.588 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 6.6 t -70.18 145.03 51.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.381 -0.372 . . . . 15.0 110.375 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.51 -31.59 54.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.501 -0.318 . . . . 15.0 111.422 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.425 ' HD2' ' SG ' ' B' ' 66' ' ' CYS . 35.2 m-85 -102.97 -71.92 0.71 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.674 0.25 . . . . 15.0 111.674 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 23.3 m -63.17 -27.48 69.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.09 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.588 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 40.9 mttp 63.85 29.64 14.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.626 -0.715 . . . . 15.0 111.207 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -80.14 150.49 30.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.169 -0.678 . . . . 15.0 109.169 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -77.59 103.79 7.74 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.112 -0.329 . . . . 15.0 110.112 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -61.58 122.91 16.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 15.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.478 ' O ' HG22 ' B' ' 42' ' ' VAL . 51.6 mt -73.24 168.26 19.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.666 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -54.13 -28.92 42.91 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.264 -0.426 . . . . 15.0 111.966 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' B' ' 40' ' ' ARG . 6.6 ttp85 -68.62 -47.22 67.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.763 0.316 . . . . 15.0 110.47 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -65.57 -41.96 92.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 15.0 110.332 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.478 HG22 ' O ' ' B' ' 38' ' ' LEU . 40.0 t -62.97 -38.41 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 115.914 -0.585 . . . . 15.0 110.503 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -39.6 86.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.004 -0.544 . . . . 15.0 110.553 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -36.5 82.03 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.559 -0.534 . . . . 15.0 109.559 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -68.14 -46.0 72.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.467 -0.788 . . . . 15.0 110.433 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.85 -15.53 62.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.43 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -67.52 -19.87 65.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.919 0.39 . . . . 15.0 111.455 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -133.8 175.63 9.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.144 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -92.53 86.09 5.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.31 0.576 . . . . 15.0 110.143 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 mt -112.83 147.68 36.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.706 -0.679 . . . . 15.0 110.38 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.21 141.14 28.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.836 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 64.7 mt -80.59 136.16 23.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.055 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.2 m -90.49 123.78 42.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.228 0.537 . . . . 15.0 110.195 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -99.2 111.98 24.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.141 -0.481 . . . . 15.0 110.673 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.48 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -97.81 109.99 22.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.053 -0.721 . . . . 15.0 109.053 179.237 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 21.3 t70 75.9 -39.78 0.38 Allowed 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.91 0.757 . . . . 15.0 111.54 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.18 -19.12 0.1 Allowed Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.517 -0.633 . . . . 15.0 111.517 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -85.81 141.39 35.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 110.297 -0.26 . . . . 15.0 110.297 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.81 110.49 3.09 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.428 2.085 . . . . 15.0 111.979 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -108.29 152.51 24.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.066 -0.516 . . . . 15.0 110.157 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.87 165.18 11.64 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.084 0.469 . . . . 15.0 111.276 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 t -102.78 112.09 34.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.52 -0.764 . . . . 15.0 109.135 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 17.9 p -75.9 176.0 8.27 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.164 0.507 . . . . 15.0 111.679 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.25 -34.57 68.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.279 -0.873 . . . . 15.0 110.928 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -68.75 -55.29 11.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.758 -0.656 . . . . 15.0 110.993 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . 0.425 ' SG ' ' HD2' ' B' ' 32' ' ' TYR . 36.2 m -70.27 -24.25 63.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.092 -0.504 . . . . 15.0 112.197 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.2 -47.65 82.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 15.0 111.781 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.468 ' H ' ' HG2' ' B' ' 68' ' ' LYS . 2.9 ptpt -80.38 -23.83 40.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.163 -0.471 . . . . 15.0 111.398 -178.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -78.64 -43.96 24.94 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.309 0.485 . . . . 15.0 112.309 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 119.001 -0.523 . . . . 15.0 110.995 -179.28 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.854 -0.424 . . . . 15.0 109.854 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -145.83 132.43 19.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.792 0.329 . . . . 15.0 110.318 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -80.4 164.63 22.94 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.389 0.614 . . . . 15.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.471 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -99.18 170.35 6.98 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.49 -0.777 . . . . 15.0 109.157 179.188 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.471 ' HA ' ' CB ' ' A' ' 4' ' ' ASP . 91.4 Cg_endo -83.76 -17.43 27.15 Favored 'Cis proline' 0 C--N 1.347 0.493 0 C-N-CA 123.945 -1.273 . . . . 15.0 113.642 0.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -157.77 69.87 0.56 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.877 0.37 . . . . 15.0 111.925 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -88.23 -15.03 36.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.384 0.611 . . . . 15.0 109.479 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.408 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -107.83 144.62 29.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.422 -0.808 . . . . 15.0 110.898 -179.141 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -77.41 -179.51 5.51 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.685 2.257 . . . . 15.0 111.704 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -108.55 7.33 26.7 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.056 0.391 . . . . 15.0 112.056 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -119.81 139.45 52.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.609 -0.269 . . . . 15.0 111.195 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 30.8 tp -57.68 -53.16 68.57 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 116.027 -0.533 . . . . 15.0 112.426 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.2 Cg_endo -55.42 -39.31 91.76 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.979 1.786 . . . . 15.0 112.065 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -71.08 -43.62 67.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 15.0 110.353 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.8 tp -58.1 -46.41 85.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.032 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.8 m -59.1 -45.91 89.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.033 0.444 . . . . 15.0 110.267 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.1 m -62.04 -42.33 99.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.736 -0.665 . . . . 15.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.65 -29.83 68.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.937 0.398 . . . . 15.0 110.823 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.85 -0.12 37.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.854 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 65.82 32.34 8.85 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.883 -0.599 . . . . 15.0 110.885 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.519 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 14.1 t -140.65 -170.03 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.386 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.5 p -120.05 178.19 4.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.809 0.338 . . . . 15.0 110.652 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -76.23 3.44 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.425 0.631 . . . . 15.0 111.203 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -109.76 2.18 19.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.266 -0.425 . . . . 15.0 110.209 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.519 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 33.9 t70 -132.92 -19.61 2.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 15.0 111.664 -178.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.0 tt -59.9 131.76 24.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 121.198 0.523 . . . . 15.0 111.282 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.8 mm -103.02 108.44 24.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.927 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -127.42 146.52 50.45 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.992 -0.374 . . . . 15.0 109.992 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.465 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 5.2 pt-20 -116.91 162.2 18.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.852 0.358 . . . . 15.0 111.213 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 45.1 t -70.02 144.03 52.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.668 . . . . 15.0 111.043 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 7.5 p -78.51 -24.34 13.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.407 -0.815 . . . . 15.0 110.958 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -100.64 -44.0 5.98 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.001 0.371 . . . . 15.0 112.001 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.5 m -88.8 -19.56 25.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.288 0.477 . . . . 15.0 112.288 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.4 tptp 61.13 31.91 19.65 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.798 0.809 . . . . 15.0 109.929 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.68 135.58 53.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.184 -0.916 . . . . 15.0 109.898 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.465 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 24.4 mp0 -60.43 131.8 51.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.905 0.383 . . . . 15.0 111.088 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -80.4 148.4 30.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.957 -0.565 . . . . 15.0 110.429 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.628 ' HB2' ' OE2' ' A' ' 41' ' ' GLU . 78.2 mt -86.77 162.77 17.66 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.539 -0.541 . . . . 15.0 109.539 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -57.93 -20.51 38.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.906 0.706 . . . . 15.0 112.906 -178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.409 ' H ' ' HG3' ' A' ' 40' ' ' ARG . 1.9 mtm180 -73.02 -52.17 15.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.931 0.396 . . . . 15.0 110.846 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.628 ' OE2' ' HB2' ' A' ' 38' ' ' LEU . 1.7 pm0 -70.26 -26.37 63.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.154 -0.475 . . . . 15.0 110.787 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 38' ' ' LEU . 82.7 t -64.72 -36.65 78.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 108.727 -0.842 . . . . 15.0 108.727 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -64.76 -41.63 95.74 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.457 -0.792 . . . . 15.0 109.435 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -61.09 -38.0 84.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.382 -0.827 . . . . 15.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -62.41 -35.49 79.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.49 -23.35 24.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.28 -0.418 . . . . 15.0 111.406 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -76.15 -27.19 56.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.263 0.554 . . . . 15.0 110.556 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -107.16 165.33 11.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.187 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -84.48 93.22 8.27 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.489 -0.56 . . . . 15.0 109.489 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.7 mt -140.99 157.57 45.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.972 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.9 m -116.96 160.78 20.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.763 -0.653 . . . . 15.0 109.658 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.9 mt -81.21 135.89 24.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.667 0.27 . . . . 15.0 110.583 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -91.5 113.56 27.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.081 -0.711 . . . . 15.0 109.081 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.408 ' CE2' ' HG3' ' A' ' 8' ' ' ARG . 45.5 m-85 -99.61 110.1 22.56 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.243 -0.435 . . . . 15.0 111.509 -178.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' C ' ' H ' ' A' ' 57' ' ' GLY . 36.5 mmm-85 -107.93 118.56 37.06 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 178.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 73.49 -17.93 0.41 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.984 0.802 . . . . 15.0 111.844 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 55' ' ' ARG . . . 132.41 -7.71 5.32 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.844 -0.693 . . . . 15.0 112.292 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.43 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 41.5 m-80 -94.12 145.32 29.57 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 110.334 -0.247 . . . . 15.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 5.2 Cg_exo -78.31 113.69 3.41 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.643 2.228 . . . . 15.0 112.285 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.402 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 78.3 m-85 -116.96 140.67 49.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.043 0.449 . . . . 15.0 110.304 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -108.77 179.98 4.03 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 4.4 t -121.72 117.75 53.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.053 -0.721 . . . . 15.0 109.053 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.59 173.35 9.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.961 0.41 . . . . 15.0 111.146 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -54.99 -37.03 66.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.61 -0.723 . . . . 15.0 111.773 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -59.35 5.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.862 -0.608 . . . . 15.0 112.033 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.455 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -71.81 -27.64 63.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.433 0.531 . . . . 15.0 112.433 -178.243 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.7 mt -57.36 -44.93 84.77 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.148 0.425 . . . . 15.0 112.148 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -81.58 -22.02 38.02 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.858 -0.337 . . . . 15.0 111.023 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -78.53 -30.34 46.95 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.122 0.415 . . . . 15.0 112.122 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 . . . . . 0 C--O 1.242 0.694 0 CA-C-O 118.568 -0.73 . . . . 15.0 110.912 -179.04 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 ttm . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 109.598 -0.519 . . . . 15.0 109.598 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.488 ' CD1' ' HG2' ' B' ' 8' ' ' ARG . 0.3 OUTLIER -140.68 166.79 23.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.629 0.252 . . . . 15.0 110.899 179.664 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.402 ' H ' ' HG2' ' B' ' 3' ' ' GLN . 10.6 pt20 -79.18 169.12 18.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.92 -0.582 . . . . 15.0 111.561 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . 0.679 ' CG ' ' HA ' ' B' ' 5' ' ' PRO . 1.6 t70 -111.79 152.76 44.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.803 -0.635 . . . . 15.0 109.351 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.679 ' HA ' ' CG ' ' B' ' 4' ' ' ASP . 19.2 Cg_endo -84.47 -103.08 0.0 OUTLIER 'Cis proline' 0 N--CA 1.455 -0.784 0 C-N-CA 123.608 -1.413 . . . . 15.0 113.461 0.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -97.79 50.96 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.017 -0.427 . . . . 15.0 111.833 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -87.07 47.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.177 -0.675 . . . . 15.0 109.177 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.488 ' HG2' ' CD1' ' B' ' 2' ' ' PHE . 32.4 mtt180 -128.29 116.33 20.07 Favored Pre-proline 0 N--CA 1.451 -0.376 0 CA-C-N 115.542 -0.753 . . . . 15.0 110.484 -178.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.6 176.95 9.42 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.49 2.127 . . . . 15.0 112.294 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 60.5 mmt-85 -108.12 0.96 21.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.273 -0.421 . . . . 15.0 110.373 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -99.82 119.9 38.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.758 -0.655 . . . . 15.0 109.946 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 22.5 tp -55.76 -50.67 85.76 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 112.855 0.687 . . . . 15.0 112.855 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.3 Cg_endo -54.83 -34.54 85.64 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.222 1.948 . . . . 15.0 112.856 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -83.15 -29.67 28.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.321 . . . . 15.0 110.708 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.8 tp -63.38 -35.49 80.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.271 0.558 . . . . 15.0 110.024 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 35.2 m -63.55 -40.14 96.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.707 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -60.37 -39.61 87.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.316 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.73 -22.99 62.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.137 0.494 . . . . 15.0 111.058 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.0 mt -96.58 5.05 51.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.951 -0.568 . . . . 15.0 110.286 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 59.56 37.13 22.82 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.693 -0.685 . . . . 15.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.435 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 14.6 t -140.61 -171.7 3.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.165 -0.47 . . . . 15.0 110.789 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.9 p -126.49 177.77 6.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.46 -0.337 . . . . 15.0 110.633 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 10.3 mt -71.53 -7.13 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.648 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.411 ' CD2' ' HH ' ' B' ' 43' ' ' TYR . 19.0 m170 -96.11 -8.5 33.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 15.0 111.191 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.435 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 13.6 t70 -124.42 -36.97 2.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.018 0.377 . . . . 15.0 112.018 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -47.7 129.05 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 121.192 0.52 . . . . 15.0 111.668 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.484 HG23 HD12 ' B' ' 27' ' ' ILE . 31.8 mm -106.55 116.27 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.704 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mp -123.33 144.56 49.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 15.0 109.399 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -110.7 164.88 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.499 -0.319 . . . . 15.0 110.16 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . 0.465 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 52.8 t -67.79 140.16 56.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.327 . . . . 15.0 110.518 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.8 p -71.96 -20.42 20.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.469 -0.332 . . . . 15.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -104.3 -51.19 3.17 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.991 0.367 . . . . 15.0 111.991 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 57.3 m -82.98 -24.61 32.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.688 -0.233 . . . . 15.0 111.533 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 2.4 mptm? 65.34 21.71 11.97 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.711 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -98.12 154.53 17.67 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.627 -0.508 . . . . 15.0 109.627 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -64.39 127.92 33.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.894 0.378 . . . . 15.0 111.161 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.48 142.43 37.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.64 . . . . 15.0 110.963 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.467 ' O ' HG21 ' B' ' 42' ' ' VAL . 45.4 mt -72.95 142.29 47.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.921 -0.77 . . . . 15.0 108.921 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -54.1 -34.94 61.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 15.0 111.497 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -62.28 -41.29 98.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 15.0 110.97 179.288 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -72.95 -27.77 62.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.345 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.467 HG21 ' O ' ' B' ' 38' ' ' LEU . 60.2 t -63.04 -34.55 67.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 109.385 -0.598 . . . . 15.0 109.385 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . 0.483 ' O ' ' HB2' ' B' ' 47' ' ' PHE . 25.7 m-85 -68.97 -37.03 78.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.062 179.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -66.29 -39.35 89.32 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.333 0.587 . . . . 15.0 109.793 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -61.86 -42.37 98.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.38 -0.827 . . . . 15.0 110.642 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.29 -13.05 53.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 15.0 111.226 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . 0.483 ' HB2' ' O ' ' B' ' 43' ' ' TYR . 11.1 t80 -77.52 -44.93 27.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.485 . . . . 15.0 109.985 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.431 HH22 ' HB3' ' B' ' 67' ' ' LEU . 6.1 mtt180 -88.38 -160.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.659 -0.7 . . . . 15.0 109.881 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -117.27 89.38 3.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.219 0.533 . . . . 15.0 110.23 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -132.56 138.3 47.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.593 -0.73 . . . . 15.0 109.537 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 56.9 m -91.19 161.35 15.11 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.199 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 65.5 mt -79.36 129.04 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.904 0.383 . . . . 15.0 110.777 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.78 113.83 27.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.619 -0.719 . . . . 15.0 110.014 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -94.88 109.91 21.85 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.56 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.25 102.85 14.89 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.805 -0.813 . . . . 15.0 108.805 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 t0 68.27 -83.91 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.918 -1.037 . . . . 15.0 111.403 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.61 20.26 3.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.441 -0.885 . . . . 15.0 112.809 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -133.21 134.14 23.8 Favored Pre-proline 0 C--N 1.323 -0.572 0 O-C-N 122.535 -0.391 . . . . 15.0 110.988 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.86 122.61 9.26 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.697 2.265 . . . . 15.0 112.558 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -122.84 163.39 20.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.138 -0.483 . . . . 15.0 109.885 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.87 -172.35 2.27 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.163 0.506 . . . . 15.0 110.804 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 6.7 t -115.52 120.76 65.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.756 -0.656 . . . . 15.0 109.576 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 28.2 p -78.83 169.64 17.91 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.118 -0.233 . . . . 15.0 110.728 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -48.48 -37.04 16.34 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.608 0.596 . . . . 15.0 112.608 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.4 -59.69 4.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.618 -0.265 . . . . 15.0 111.45 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -28.11 61.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.459 -0.337 . . . . 15.0 111.762 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.431 ' HB3' HH22 ' B' ' 48' ' ' ARG . 8.4 mt -52.21 -47.3 65.72 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.675 0.62 . . . . 15.0 112.675 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -81.27 -24.85 37.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.61 0.243 . . . . 15.0 111.646 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -78.03 -27.97 48.95 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.416 0.525 . . . . 15.0 112.416 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 117.935 -1.031 . . . . 15.0 111.483 -178.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.444 ' SD ' ' HG2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.912 -0.403 . . . . 15.0 109.912 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.482 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -137.77 117.0 12.64 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.457 -0.571 . . . . 15.0 109.457 179.404 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.444 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 5.8 mm100 -119.73 -162.15 0.91 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.946 -0.57 . . . . 15.0 111.518 -178.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.418 ' H ' ' HB3' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -61.96 158.6 42.75 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.77 -179.604 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -84.43 17.46 27.87 Favored 'Cis proline' 0 C--N 1.345 0.363 0 C-N-CA 123.64 -1.4 . . . . 15.0 113.014 0.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 11.1 mm-40 -83.54 121.39 27.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.92 0.39 . . . . 15.0 110.552 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -75.34 -3.77 35.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.482 ' HD3' ' O ' ' A' ' 2' ' ' PHE . 33.0 mtm-85 64.2 88.27 0.12 Allowed Pre-proline 0 N--CA 1.463 0.189 0 CA-C-N 115.808 -0.633 . . . . 15.0 111.262 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.16 157.23 57.98 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 15.0 112.341 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 51' ' ' CYS . 25.4 mmt180 -91.08 -18.82 23.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.303 -0.408 . . . . 15.0 111.13 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -85.16 131.31 34.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.64 0.257 . . . . 15.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.532 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 59.4 tp -56.18 -50.59 86.62 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.972 -0.558 . . . . 15.0 111.961 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.2 Cg_endo -54.98 -35.16 89.21 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.125 1.883 . . . . 15.0 112.338 179.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -69.48 -44.81 70.4 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.396 -0.365 . . . . 15.0 110.604 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.552 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 34.1 tp -57.83 -34.39 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.955 -0.387 . . . . 15.0 109.955 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.8 m -64.26 -49.72 70.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.706 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 p -66.04 -40.45 90.98 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.872 0.367 . . . . 15.0 111.342 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.33 -32.62 71.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.273 -0.422 . . . . 15.0 111.047 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -84.62 -4.31 58.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.862 0.363 . . . . 15.0 110.25 179.341 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 63.46 46.3 4.39 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.466 -0.788 . . . . 15.0 110.823 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.41 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 12.9 t -152.03 -170.7 3.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.999 -0.546 . . . . 15.0 110.447 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -123.73 -179.86 4.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.708 0.289 . . . . 15.0 111.081 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mt -73.08 0.16 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 15.0 111.336 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -105.13 -5.64 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.757 0.313 . . . . 15.0 111.043 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.41 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 31.8 t70 -133.77 -8.77 2.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.963 0.411 . . . . 15.0 111.515 -178.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 tt -63.19 121.36 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.61 0.719 . . . . 15.0 111.545 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.5 mm -84.64 94.66 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.687 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.43 HD21 ' HB1' ' A' ' 61' ' ' ALA . 1.2 tp -122.99 128.19 49.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.728 -0.669 . . . . 15.0 109.641 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -115.37 171.68 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.94 -0.573 . . . . 15.0 110.599 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 39.3 t -67.43 142.26 56.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.321 0.581 . . . . 15.0 111.055 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.43 -20.54 12.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.617 -0.72 . . . . 15.0 110.524 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -101.57 -70.7 0.74 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.674 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.6 m -73.17 -14.38 61.35 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.342 0.497 . . . . 15.0 112.342 -177.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 39.1 mmtm 64.84 22.36 12.5 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.579 0.549 . . . . 15.0 111.784 178.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -88.04 142.95 27.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.626 -0.509 . . . . 15.0 109.626 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -72.54 126.06 28.95 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.184 -0.302 . . . . 15.0 110.184 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.37 145.69 54.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.013 -0.54 . . . . 15.0 111.467 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.558 ' O ' HG21 ' A' ' 42' ' ' VAL . 10.7 tp -82.66 162.0 21.99 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.383 -0.599 . . . . 15.0 109.383 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.452 ' NH1' ' HE2' ' A' ' 43' ' ' TYR . 12.2 ttp85 -47.19 -41.68 18.49 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 122.805 0.442 . . . . 15.0 112.168 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -68.21 -46.51 70.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.618 -0.264 . . . . 15.0 111.659 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.522 ' OE1' ' HB3' ' A' ' 38' ' ' LEU . 9.1 mp0 -58.7 -36.98 75.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.101 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.558 HG21 ' O ' ' A' ' 38' ' ' LEU . 16.3 t -65.74 -38.05 81.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.018 0.437 . . . . 15.0 110.005 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.452 ' HE2' ' NH1' ' A' ' 39' ' ' ARG . 21.6 m-30 -71.4 -33.97 69.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 15.0 109.828 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.89 -30.33 71.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.471 0.653 . . . . 15.0 109.81 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.97 -38.04 72.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.946 -1.025 . . . . 15.0 110.5 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.91 -24.09 59.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.401 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -20.31 60.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.786 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.0 mtt85 -111.93 168.39 9.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.59 -0.277 . . . . 15.0 110.359 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.2 -4.07 58.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.952 0.406 . . . . 15.0 110.797 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.5 109.21 0.47 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.59 -0.732 . . . . 15.0 111.109 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 29.5 p -68.98 -171.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 15.0 111.767 -178.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.7 mt -87.9 140.03 16.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.633 -0.712 . . . . 15.0 109.684 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -103.07 113.55 40.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.412 0.625 . . . . 15.0 109.853 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -94.97 111.51 23.3 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.699 -0.682 . . . . 15.0 111.377 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.39 110.82 23.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.988 -0.745 . . . . 15.0 108.988 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t0 70.09 -73.16 0.1 Allowed 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.972 0.795 . . . . 15.0 110.496 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.39 22.31 0.22 Allowed Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.212 -0.755 . . . . 15.0 111.212 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -118.75 131.81 24.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.473 0.177 . . . . 15.0 111.127 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -76.32 103.24 1.71 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.595 2.196 . . . . 15.0 111.496 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -115.72 168.21 10.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.46 0.648 . . . . 15.0 111.028 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.43 ' HB1' HD21 ' A' ' 28' ' ' LEU . . . -126.39 -168.44 1.86 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.481 -0.781 . . . . 15.0 109.908 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 47.2 t -135.69 120.26 26.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.763 -0.458 . . . . 15.0 109.763 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.61 174.14 10.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.931 0.396 . . . . 15.0 110.862 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -50.87 -33.74 25.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.978 1.103 . . . . 15.0 113.978 -177.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -62.98 1.42 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.748 -0.381 . . . . 15.0 111.697 -177.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.468 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -76.28 -25.78 55.26 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.057 0.391 . . . . 15.0 112.057 -179.132 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 16.7 tp -51.56 -49.96 61.02 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.762 0.652 . . . . 15.0 112.762 -178.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -79.58 -21.57 44.88 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.886 0.328 . . . . 15.0 111.886 -178.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -77.85 -36.55 49.8 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 111.752 0.278 . . . . 15.0 111.752 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.601 -0.714 . . . . 15.0 111.495 -178.815 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptt? . . . . . 0 N--CA 1.486 1.351 0 N-CA-C 110.369 -0.234 . . . . 15.0 110.369 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.8 101.11 4.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.251 0.548 . . . . 15.0 110.555 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.22 -158.65 0.88 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.516 -0.765 . . . . 15.0 109.586 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . 0.493 ' OD1' ' HA ' ' B' ' 5' ' ' PRO . 21.7 t70 -50.78 142.87 15.79 Favored Pre-proline 0 N--CA 1.47 0.539 0 C-N-CA 122.986 0.514 . . . . 15.0 111.265 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.493 ' HA ' ' OD1' ' B' ' 4' ' ' ASP . 2.1 Cg_endo -82.49 4.06 50.38 Favored 'Cis proline' 0 C--N 1.352 0.712 0 C-N-CA 124.541 -1.024 . . . . 15.0 113.541 1.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -72.71 105.3 4.24 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.55 -0.537 . . . . 15.0 109.55 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -70.91 -15.53 62.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.999 -0.546 . . . . 15.0 111.316 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 66.22 83.95 0.18 Allowed Pre-proline 0 N--CA 1.467 0.394 0 CA-C-O 120.94 0.4 . . . . 15.0 111.515 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.79 165.06 33.81 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.618 2.212 . . . . 15.0 112.154 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.88 7.61 41.17 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.941 0.348 . . . . 15.0 111.941 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -119.43 131.16 55.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.747 0.308 . . . . 15.0 110.691 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 28.6 tp -54.39 -51.27 79.5 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 113.29 0.848 . . . . 15.0 113.29 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.6 Cg_endo -54.2 -33.98 77.18 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.249 1.966 . . . . 15.0 112.554 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -81.89 -27.49 33.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.712 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.7 tp -68.4 -33.95 75.16 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 0.582 ' SG ' HG12 ' B' ' 23' ' ' ILE . 39.0 m -61.15 -35.28 76.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.538 -0.755 . . . . 15.0 110.095 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -33.87 76.58 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.722 -0.672 . . . . 15.0 110.659 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.82 -32.77 74.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.329 0.585 . . . . 15.0 109.653 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 mt -88.54 1.67 54.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.446 -0.797 . . . . 15.0 110.088 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 55.76 39.83 30.77 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.66 -0.7 . . . . 15.0 111.033 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -143.45 -173.51 3.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.065 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -105.2 171.94 7.05 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.491 0.186 . . . . 15.0 110.686 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.582 HG12 ' SG ' ' B' ' 16' ' ' CYS . 10.4 mt -68.2 -12.93 16.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.644 0.735 . . . . 15.0 110.145 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -83.28 -5.11 59.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.36 -0.836 . . . . 15.0 111.479 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -128.99 -10.64 4.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.898 0.38 . . . . 15.0 111.834 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 20.5 tt -69.73 134.84 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.268 0.556 . . . . 15.0 110.987 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -117.16 113.45 42.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.576 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -127.88 145.57 50.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.405 -0.361 . . . . 15.0 110.032 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -107.69 160.57 15.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.704 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.65 141.9 57.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.948 0.404 . . . . 15.0 110.779 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 5.2 p -65.04 -33.43 63.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.441 -0.8 . . . . 15.0 112.108 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -110.2 -36.88 5.71 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.714 0.635 . . . . 15.0 112.714 -178.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 m -83.88 -20.77 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.741 0.305 . . . . 15.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 mptt 59.79 24.36 13.33 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.97 -0.559 . . . . 15.0 111.102 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -100.19 139.01 36.48 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.402 -0.592 . . . . 15.0 109.402 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -66.2 125.74 26.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.991 0.424 . . . . 15.0 110.539 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -75.41 129.48 37.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.846 -0.616 . . . . 15.0 110.439 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 54.8 mt -64.21 141.13 58.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.742 -0.466 . . . . 15.0 109.742 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' B' ' 40' ' ' ARG . 0.2 OUTLIER -45.01 -38.96 5.2 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.762 0.652 . . . . 15.0 112.762 -178.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.402 ' N ' ' HG3' ' B' ' 39' ' ' ARG . 13.9 ttp180 -61.8 -48.42 80.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.671 0.272 . . . . 15.0 111.493 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.48 -31.71 70.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 15.0 110.379 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.11 -37.69 74.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.815 -0.63 . . . . 15.0 110.959 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -70.08 -33.92 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 15.0 110.646 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -27.42 63.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.166 0.508 . . . . 15.0 109.856 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -68.02 -37.87 81.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.287 -0.869 . . . . 15.0 110.041 178.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.96 -23.97 30.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.864 -0.607 . . . . 15.0 111.242 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.09 -22.6 60.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.361 0.601 . . . . 15.0 109.763 179.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -102.97 155.14 18.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.507 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -80.8 78.87 7.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.321 0.582 . . . . 15.0 110.909 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mp -114.51 179.59 3.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.02 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 1.1 p -131.18 154.41 48.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.502 -0.317 . . . . 15.0 110.477 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 51.1 mt -82.18 127.67 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.442 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.2 112.88 25.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 116.011 -0.541 . . . . 15.0 109.997 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -94.34 110.9 22.63 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.224 0.535 . . . . 15.0 110.396 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -105.31 107.09 17.9 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.541 -0.754 . . . . 15.0 109.406 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.1 t0 70.08 22.96 5.47 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.655 -0.702 . . . . 15.0 111.013 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.04 -25.74 20.44 Favored Glycine 0 CA--C 1.51 -0.226 0 C-N-CA 120.886 -0.674 . . . . 15.0 113.032 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -75.0 140.76 74.08 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.712 0.291 . . . . 15.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.85 119.78 6.27 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.521 2.147 . . . . 15.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -125.32 155.12 40.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.888 -0.596 . . . . 15.0 109.727 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.93 179.21 4.05 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.187 -0.46 . . . . 15.0 109.986 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 14.1 t -114.7 115.61 50.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.635 -0.505 . . . . 15.0 109.635 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 27.4 p -72.3 170.21 14.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.135 -0.32 . . . . 15.0 110.135 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.538 ' O ' ' HE2' ' B' ' 68' ' ' LYS . 31.3 t70 -57.84 -32.9 68.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.8 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -70.62 -57.09 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.759 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . 0.505 ' HA ' ' HB2' ' B' ' 69' ' ' PHE . 69.3 m -65.66 -26.22 67.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.517 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 0.3 OUTLIER -52.24 -55.0 24.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 15.0 111.316 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.538 ' HE2' ' O ' ' B' ' 64' ' ' ASP . 4.0 pttt -80.98 -12.88 59.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.005 -0.543 . . . . 15.0 111.428 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . 0.505 ' HB2' ' HA ' ' B' ' 66' ' ' CYS . 1.8 m-85 -76.76 -49.02 16.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.755 0.312 . . . . 15.0 111.531 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.428 -0.796 . . . . 15.0 111.408 -178.473 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 110.31 -0.256 . . . . 15.0 110.31 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.49 ' HB2' ' HD3' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -137.65 100.42 4.2 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.381 0.61 . . . . 15.0 110.917 179.523 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.14 -163.6 1.55 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.162 -0.927 . . . . 15.0 108.669 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.452 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 16.7 t70 -47.57 140.44 7.8 Favored Pre-proline 0 N--CA 1.469 0.503 0 O-C-N 123.33 0.394 . . . . 15.0 110.972 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.452 ' HA ' ' OD1' ' A' ' 4' ' ' ASP . 1.8 Cg_endo -83.45 3.22 56.18 Favored 'Cis proline' 0 C--N 1.348 0.545 0 C-N-CA 124.46 -1.058 . . . . 15.0 113.635 1.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.436 HE21 ' HB2' ' A' ' 6' ' ' GLN . 1.7 mp0 -71.0 121.81 18.87 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.378 -0.601 . . . . 15.0 109.378 179.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -80.14 -15.78 56.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.265 -0.425 . . . . 15.0 111.12 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 69.0 86.0 0.13 Allowed Pre-proline 0 N--CA 1.468 0.438 0 O-C-N 123.482 0.489 . . . . 15.0 111.111 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -80.78 154.03 20.06 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.563 2.175 . . . . 15.0 111.537 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -88.17 -1.27 57.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.696 -0.229 . . . . 15.0 111.344 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -110.74 130.34 55.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.9 0.381 . . . . 15.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.54 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.6 tp -55.18 -49.57 91.54 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.539 -0.755 . . . . 15.0 112.825 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 9.7 Cg_endo -53.2 -33.74 66.11 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.301 2.001 . . . . 15.0 112.733 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -85.13 -30.5 23.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.574 -0.285 . . . . 15.0 111.01 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.05 -37.82 83.96 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.163 0.506 . . . . 15.0 110.368 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.677 ' SG ' HG12 ' A' ' 23' ' ' ILE . 47.1 m -60.3 -33.95 73.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.49 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.5 m -67.65 -40.41 84.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.136 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.0 -40.4 87.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.607 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.41 -3.5 50.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 15.0 110.942 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 59.57 50.13 7.71 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.93 -0.577 . . . . 15.0 111.334 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -155.15 -174.01 4.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.403 -0.362 . . . . 15.0 110.303 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.8 p -107.74 169.07 8.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 15.0 111.198 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.677 HG12 ' SG ' ' A' ' 16' ' ' CYS . 1.9 mt -75.38 1.71 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.308 0.575 . . . . 15.0 110.643 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -108.0 9.07 28.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.989 -0.55 . . . . 15.0 110.157 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -132.98 -37.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 15.0 111.624 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.6 tt -65.06 128.4 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.509 0.671 . . . . 15.0 112.253 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.1 119.78 62.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.021 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -106.32 160.95 14.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.73 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -118.98 153.88 33.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.014 -0.539 . . . . 15.0 109.666 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 37.9 t -67.43 145.16 55.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.127 0.489 . . . . 15.0 111.271 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.489 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 7.5 p -71.96 -29.84 34.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.62 -0.718 . . . . 15.0 111.664 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -103.37 -46.12 4.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.171 0.434 . . . . 15.0 112.171 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.09 -25.49 36.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.715 0.265 . . . . 15.0 111.715 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.1 mptt 63.5 22.21 13.1 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.192 0.52 . . . . 15.0 111.265 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -95.82 147.43 23.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.0 -0.546 . . . . 15.0 109.788 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -73.31 126.97 31.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.998 0.427 . . . . 15.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.56 138.98 43.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.788 -0.642 . . . . 15.0 109.781 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.7 mt -74.7 157.86 34.55 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.071 -0.513 . . . . 15.0 109.983 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -52.76 -35.01 55.65 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.983 0.42 . . . . 15.0 110.974 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -63.99 -39.99 95.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.348 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.12 -33.22 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 15.0 110.93 -178.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.1 t -57.48 -40.58 75.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.746 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -70.97 -35.04 71.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -67.22 -38.67 85.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.194 0.521 . . . . 15.0 109.783 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -65.84 -35.09 79.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.324 -0.853 . . . . 15.0 110.93 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.93 -33.63 26.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.826 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -69.23 -35.87 76.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.902 0.382 . . . . 15.0 110.669 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -90.14 155.01 19.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.389 -0.597 . . . . 15.0 109.389 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -82.08 79.81 8.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.511 0.672 . . . . 15.0 110.568 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mp -112.79 171.44 7.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.506 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 68.7 m -129.76 149.56 51.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.908 0.385 . . . . 15.0 110.739 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.4 mt -84.2 136.51 22.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.754 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -111.89 119.64 60.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.968 -0.56 . . . . 15.0 109.567 179.441 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -94.78 110.26 22.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.964 0.411 . . . . 15.0 111.163 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -84.17 114.05 21.51 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.613 -0.884 . . . . 15.0 108.613 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.0 t70 71.45 -71.01 0.14 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.024 0.827 . . . . 15.0 110.734 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.07 44.03 0.18 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.305 -0.718 . . . . 15.0 111.305 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -142.33 147.64 44.34 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 110.099 -0.334 . . . . 15.0 110.099 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.49 ' HD3' ' HB2' ' A' ' 2' ' ' PHE . 57.8 Cg_endo -73.85 109.76 2.94 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.333 2.022 . . . . 15.0 112.326 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.489 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 59.8 m-85 -116.58 139.75 50.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.914 -0.585 . . . . 15.0 109.52 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.91 -176.07 2.94 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.352 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 t -115.15 118.15 57.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.034 -0.53 . . . . 15.0 109.575 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 24.6 p -74.02 174.85 8.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.399 -0.364 . . . . 15.0 110.068 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.2 -15.66 63.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.046 0.451 . . . . 15.0 110.206 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 63' ' ' CYS . 3.7 mtpm? -78.63 -57.17 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 15.0 109.752 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 33.8 m -72.95 -15.18 61.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.651 -0.704 . . . . 15.0 111.617 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 5.5 tp -49.63 -43.03 46.52 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.687 -0.688 . . . . 15.0 112.265 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -16.31 53.34 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.725 0.269 . . . . 15.0 111.725 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -77.77 -49.73 13.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.768 0.318 . . . . 15.0 111.618 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.338 -0.839 . . . . 15.0 110.903 -178.922 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.471 0.177 . . . . 15.0 111.447 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.96 133.23 53.75 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.002 -0.279 . . . . 15.0 110.605 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.52 166.5 10.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.848 0.356 . . . . 15.0 110.872 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.83 150.93 41.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.02 -0.536 . . . . 15.0 110.782 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -88.37 -71.57 0.0 OUTLIER 'Cis proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.813 -1.328 . . . . 15.0 113.017 0.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 69.67 -8.5 0.76 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.682 0.793 . . . . 15.0 112.72 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 8' ' ' ARG . 38.3 tt0 72.21 -53.0 0.7 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.492 0.717 . . . . 15.0 111.313 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.458 ' HB3' ' OH ' ' B' ' 54' ' ' TYR . 15.0 mtm180 68.99 86.26 0.12 Allowed Pre-proline 0 C--O 1.234 0.27 0 O-C-N 123.831 0.707 . . . . 15.0 111.155 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -65.21 152.18 83.0 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.595 2.197 . . . . 15.0 111.638 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -92.03 18.97 7.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.856 0.36 . . . . 15.0 111.306 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -122.87 128.62 50.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.967 -0.561 . . . . 15.0 109.899 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 7.1 tp -52.49 -51.88 68.73 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 113.864 1.061 . . . . 15.0 113.864 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 7.5 Cg_endo -52.16 -45.57 38.31 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.198 1.932 . . . . 15.0 112.718 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -72.26 -28.65 63.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.753 0.311 . . . . 15.0 111.252 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 tp -69.01 -34.21 74.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 15.0 110.276 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 62.3 m -59.49 -35.28 73.81 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.912 -0.585 . . . . 15.0 110.704 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -30.17 69.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.217 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -71.24 -34.6 70.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.424 0.631 . . . . 15.0 109.792 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 mt -86.7 -1.76 57.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.232 -0.894 . . . . 15.0 110.697 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 60.48 38.64 19.03 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.646 -0.706 . . . . 15.0 111.532 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.408 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 14.8 t -139.62 -169.97 2.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.101 -0.499 . . . . 15.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -115.86 175.58 5.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.491 -0.322 . . . . 15.0 110.885 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 20.9 mt -72.67 -7.46 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.37 0.605 . . . . 15.0 111.263 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -99.31 -4.89 30.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.157 -0.34 . . . . 15.0 110.798 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.408 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 34.3 t70 -129.28 -10.67 4.66 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 111.892 0.331 . . . . 15.0 111.892 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 11.2 tt -65.16 122.2 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.327 0.584 . . . . 15.0 110.915 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.0 mm -106.21 105.82 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.949 -0.569 . . . . 15.0 110.473 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tp -123.32 138.18 54.67 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -97.71 166.2 11.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.99 0.424 . . . . 15.0 111.2 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 41.5 t -73.93 144.07 45.45 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.599 -0.728 . . . . 15.0 109.925 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 p -71.43 -24.52 23.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.758 -0.655 . . . . 15.0 111.13 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.427 ' HB2' ' SG ' ' B' ' 66' ' ' CYS . 26.0 m-85 -108.2 -55.16 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.726 0.269 . . . . 15.0 111.726 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 12.1 m -70.28 -23.2 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 15.0 111.79 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 60.23 30.26 19.71 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.995 0.426 . . . . 15.0 111.637 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -111.57 151.51 28.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.009 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -70.12 127.36 32.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.648 -0.251 . . . . 15.0 110.706 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 mp -77.04 136.42 38.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.297 -0.41 . . . . 15.0 110.036 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' B' ' 41' ' ' GLU . 10.2 mp -81.03 169.68 17.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.948 0.404 . . . . 15.0 110.98 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -56.67 -26.68 57.07 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.912 -0.585 . . . . 15.0 112.379 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -67.91 -52.17 39.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.791 0.329 . . . . 15.0 111.424 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' B' ' 38' ' ' LEU . 1.3 pm0 -71.47 -34.34 70.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.411 -0.359 . . . . 15.0 110.977 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 60.4 t -61.88 -40.55 87.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.48 -45.71 89.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.582 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.42 ' CG ' HH21 ' B' ' 48' ' ' ARG . 4.5 t0 -59.69 -40.37 87.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.762 -0.654 . . . . 15.0 110.919 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -65.59 -33.46 75.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.84 -0.618 . . . . 15.0 111.478 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.76 -33.78 22.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.776 0.322 . . . . 15.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -69.36 -47.21 65.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.572 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.42 HH21 ' CG ' ' B' ' 44' ' ' ASP . 27.5 mtm180 -90.14 136.3 33.13 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.622 -0.51 . . . . 15.0 109.622 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -71.44 89.78 0.95 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.053 0.454 . . . . 15.0 111.067 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -111.12 -177.88 3.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.751 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 27.9 m -121.7 138.08 54.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 72.9 mt -80.99 132.09 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.306 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 m -91.62 136.04 25.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.049 -0.523 . . . . 15.0 109.669 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' B' ' 59' ' ' PRO . 30.9 m-85 -111.05 110.19 20.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.831 0.348 . . . . 15.0 111.457 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.54 103.16 12.66 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.557 -0.905 . . . . 15.0 108.557 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 68.96 -64.27 0.33 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.223 0.952 . . . . 15.0 110.649 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -155.48 -1.72 0.12 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.965 -0.561 . . . . 15.0 112.298 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -102.42 128.24 28.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.723 0.297 . . . . 15.0 111.381 -179.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.575 ' HB3' ' CE2' ' B' ' 54' ' ' TYR . 60.2 Cg_endo -77.7 116.27 4.0 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.696 2.264 . . . . 15.0 112.177 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -122.91 164.79 17.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.878 0.37 . . . . 15.0 110.149 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.11 169.2 8.7 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.017 0.437 . . . . 15.0 110.791 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 t -104.42 118.76 52.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . 0.67 ' SG ' ' HE3' ' B' ' 65' ' ' LYS . 30.8 p -72.74 172.41 10.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.08 0.467 . . . . 15.0 110.785 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.97 -15.95 62.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.81 -0.632 . . . . 15.0 111.218 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.67 ' HE3' ' SG ' ' B' ' 63' ' ' CYS . 0.0 OUTLIER -81.27 -57.86 3.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.411 . . . . 15.0 110.36 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 6.1 m -69.02 -25.09 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.843 -0.617 . . . . 15.0 111.498 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 2.0 mt -57.42 -38.46 74.38 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.398 -0.365 . . . . 15.0 111.95 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -79.74 -27.18 40.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.841 0.353 . . . . 15.0 110.984 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -76.51 -47.77 21.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.031 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.776 -0.63 . . . . 15.0 110.616 -179.677 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.596 0.236 . . . . 15.0 110.423 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -123.1 143.16 50.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.362 -0.381 . . . . 15.0 110.167 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -83.51 -177.81 6.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.216 0.532 . . . . 15.0 111.891 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -91.2 144.76 30.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.149 -0.932 . . . . 15.0 110.705 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -92.47 -73.53 0.0 OUTLIER 'Cis proline' 0 N--CA 1.456 -0.73 0 C-N-CA 124.009 -1.246 . . . . 15.0 112.41 -0.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 13.1 mm-40 -101.78 70.25 1.24 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.265 0.555 . . . . 15.0 111.047 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -85.81 11.24 11.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.805 0.812 . . . . 15.0 109.063 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.63 147.0 57.86 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 114.793 -1.094 . . . . 15.0 110.074 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -80.13 169.65 17.36 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.884 2.39 . . . . 15.0 112.804 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.514 ' HA ' ' OH ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -100.08 9.02 43.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.954 -0.567 . . . . 15.0 111.107 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -111.95 131.53 55.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.308 -0.405 . . . . 15.0 110.034 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 57.3 tp -53.57 -52.31 68.14 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.828 0.677 . . . . 15.0 112.828 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.2 Cg_endo -55.14 -45.94 36.77 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.128 1.886 . . . . 15.0 112.407 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -65.91 -38.74 89.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.075 -0.511 . . . . 15.0 110.256 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.4 tp -60.59 -42.52 96.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.231 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.9 m -63.83 -35.83 81.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.009 -0.542 . . . . 15.0 109.933 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.5 m -66.05 -38.87 89.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.414 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -75.22 -28.78 60.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.452 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.3 tp -81.22 -6.65 59.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.006 -0.543 . . . . 15.0 109.549 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 62.82 45.28 5.78 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.164 -0.926 . . . . 15.0 111.483 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -152.61 179.23 8.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.388 -0.369 . . . . 15.0 110.466 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.92 165.95 11.68 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.373 -0.376 . . . . 15.0 110.453 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.0 mt -67.37 -10.33 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.383 0.611 . . . . 15.0 110.801 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -90.7 -3.2 57.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.931 -0.577 . . . . 15.0 110.722 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -124.66 -24.47 4.16 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.645 0.609 . . . . 15.0 112.645 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.1 tt -51.8 118.68 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.547 0.689 . . . . 15.0 111.721 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.7 mm -83.35 98.44 5.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.325 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.405 HD22 ' HB1' ' A' ' 61' ' ' ALA . 1.3 tp -124.52 120.49 32.14 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.173 -0.677 . . . . 15.0 109.173 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -101.16 173.04 6.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.545 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 47.5 t -70.72 142.54 51.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.495 0.664 . . . . 15.0 111.548 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 p -71.57 -25.81 25.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.796 -1.093 . . . . 15.0 110.754 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -107.37 -55.86 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.081 0.4 . . . . 15.0 112.081 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.3 m -68.97 -23.72 64.16 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.874 0.324 . . . . 15.0 111.874 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.0 tptp 62.8 24.94 14.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.113 0.482 . . . . 15.0 110.876 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.04 142.41 36.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.621 -0.511 . . . . 15.0 109.621 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -65.87 132.72 49.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.936 0.398 . . . . 15.0 111.177 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.8 143.79 26.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.48 -0.782 . . . . 15.0 109.924 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.516 ' HB2' ' OE2' ' A' ' 41' ' ' GLU . 54.6 mt -78.68 151.68 32.07 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.008 -0.738 . . . . 15.0 109.008 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HD3' ' OH ' ' A' ' 43' ' ' TYR . 2.3 ptp180 -52.85 -27.57 18.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.772 0.656 . . . . 15.0 112.772 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -63.02 -52.06 64.38 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.64 0.257 . . . . 15.0 111.199 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.516 ' OE2' ' HB2' ' A' ' 38' ' ' LEU . 1.5 pm0 -71.05 -22.93 62.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.52 -0.309 . . . . 15.0 110.929 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 38' ' ' LEU . 79.5 t -64.62 -34.21 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.083 0.468 . . . . 15.0 109.853 178.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.42 ' OH ' ' HD3' ' A' ' 39' ' ' ARG . 17.3 m-85 -61.43 -28.36 69.21 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.627 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 23.8 m-20 -64.45 -32.19 73.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.78 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -33.66 74.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.98 -0.555 . . . . 15.0 110.695 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.45 -37.88 17.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.123 -0.489 . . . . 15.0 111.132 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -63.93 -48.8 75.14 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.963 0.411 . . . . 15.0 110.692 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -94.9 162.96 13.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.257 -0.646 . . . . 15.0 109.257 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -88.16 105.15 17.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.01 0.433 . . . . 15.0 110.002 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.6 mt -133.5 174.66 10.18 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.016 -0.538 . . . . 15.0 110.385 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.6 m -121.69 149.47 43.18 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.058 -0.519 . . . . 15.0 109.967 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.3 mt -80.16 126.49 39.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.109 -0.496 . . . . 15.0 109.761 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.63 113.32 26.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.232 0.539 . . . . 15.0 110.936 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.514 ' OH ' ' HA ' ' A' ' 10' ' ' ARG . 37.1 m-85 -95.39 108.35 20.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.949 -0.569 . . . . 15.0 109.558 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.485 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -99.15 118.85 36.81 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.321 -0.622 . . . . 15.0 109.321 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 18.5 t70 74.98 -45.84 0.58 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.002 0.814 . . . . 15.0 110.902 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.68 -26.35 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.527 -0.629 . . . . 15.0 111.527 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -81.47 144.7 53.68 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 110.518 -0.179 . . . . 15.0 110.518 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 7.5 Cg_endo -82.39 119.53 3.07 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.387 2.058 . . . . 15.0 111.733 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -121.35 168.98 11.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.193 0.521 . . . . 15.0 110.946 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.405 ' HB1' HD22 ' A' ' 28' ' ' LEU . . . -118.77 -171.26 2.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.547 -0.752 . . . . 15.0 110.308 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.522 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 5.5 t -127.66 124.66 63.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.423 -0.584 . . . . 15.0 109.423 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.5 p -78.11 170.15 17.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.168 -0.308 . . . . 15.0 110.168 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -53.93 -33.77 57.7 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.268 0.355 . . . . 15.0 111.916 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.496 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 17.0 mtpt -57.05 -60.07 4.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 15.0 111.355 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.522 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -75.23 -29.4 60.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.813 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.41 -46.75 76.62 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.747 0.647 . . . . 15.0 112.747 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.496 ' HE2' ' HA ' ' A' ' 65' ' ' LYS . 15.5 pttt -72.68 -17.72 61.62 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.984 -0.286 . . . . 15.0 111.407 -178.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -80.07 -38.03 32.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.319 -0.401 . . . . 15.0 110.276 178.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.79 -0.624 . . . . 15.0 110.913 -179.542 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mmm . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.257 -0.275 . . . . 15.0 110.257 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.37 174.28 10.76 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.832 -0.433 . . . . 15.0 109.832 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -90.06 155.37 19.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.423 0.63 . . . . 15.0 111.678 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . 0.636 ' CG ' ' HA ' ' B' ' 5' ' ' PRO . 8.2 t70 -80.65 151.62 71.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 114.959 -1.018 . . . . 15.0 109.954 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.636 ' HA ' ' CG ' ' B' ' 4' ' ' ASP . 11.0 Cg_endo -90.63 -88.0 0.0 OUTLIER 'Cis proline' 0 N--CA 1.456 -0.7 0 C-N-CA 124.052 -1.228 . . . . 15.0 112.836 -0.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -109.05 36.72 2.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.823 0.344 . . . . 15.0 110.291 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -75.54 67.06 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.84 -0.618 . . . . 15.0 110.031 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.479 ' HB3' ' CZ ' ' B' ' 54' ' ' TYR . 15.1 mtm180 -144.06 114.46 5.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.854 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.32 159.85 51.51 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.617 2.211 . . . . 15.0 111.75 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -96.87 7.38 46.74 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.276 0.473 . . . . 15.0 112.276 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -118.6 136.02 54.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.815 0.34 . . . . 15.0 110.902 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.452 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 40.2 tp -56.67 -55.0 47.78 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 113.103 0.779 . . . . 15.0 113.103 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 12.2 Cg_endo -55.75 -34.5 91.11 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.017 1.811 . . . . 15.0 112.576 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -75.28 -40.88 58.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.694 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.82 -34.19 74.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 15.0 110.898 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 69.2 m -57.18 -37.7 72.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.343 -0.389 . . . . 15.0 111.213 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -64.35 -41.62 96.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.013 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -34.72 75.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.807 -0.633 . . . . 15.0 110.57 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 21.5 mt -84.49 -2.21 56.92 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.952 -0.567 . . . . 15.0 111.57 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 61.71 39.68 13.95 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.02 0.438 . . . . 15.0 111.271 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.477 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 14.8 t -146.52 -168.4 3.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.367 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 45.3 p -126.37 177.06 6.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 15.0 111.21 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.0 mt -65.61 -19.36 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.848 -0.615 . . . . 15.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -86.7 -6.58 58.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 15.0 111.638 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.477 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 31.8 t70 -128.34 -30.87 2.34 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.787 0.662 . . . . 15.0 112.787 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 tt -46.26 125.5 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.467 0.651 . . . . 15.0 112.222 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mm -96.48 109.94 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.64 -0.709 . . . . 15.0 110.05 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tp -125.72 134.67 51.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.155 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -102.82 159.35 15.56 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.51 -0.552 . . . . 15.0 109.51 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 53.3 t -67.82 143.67 55.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.027 0.441 . . . . 15.0 109.983 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.66 -23.55 22.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.024 -0.535 . . . . 15.0 111.292 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -110.02 -53.04 2.72 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.093 -0.243 . . . . 15.0 111.439 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -72.62 -25.16 61.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.827 0.346 . . . . 15.0 111.117 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 2.8 mptm? 56.85 32.45 21.43 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.873 -0.603 . . . . 15.0 111.358 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -110.43 165.72 11.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.403 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -65.05 118.57 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.048 -0.523 . . . . 15.0 110.534 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.2 137.95 53.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.278 -0.419 . . . . 15.0 109.92 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.466 ' O ' HG21 ' B' ' 42' ' ' VAL . 0.3 OUTLIER -66.92 136.38 55.27 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.211 -0.663 . . . . 15.0 109.211 179.205 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -54.92 -30.6 58.84 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.161 0.288 . . . . 15.0 111.435 -178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -68.97 -41.23 78.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.689 0.28 . . . . 15.0 110.285 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.42 -27.27 65.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.728 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.466 HG21 ' O ' ' B' ' 38' ' ' LEU . 57.6 t -61.21 -34.23 59.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.296 -0.631 . . . . 15.0 109.296 178.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -71.49 -36.41 71.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.548 -0.751 . . . . 15.0 110.058 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -66.92 -38.01 85.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.557 -0.534 . . . . 15.0 109.557 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -62.56 -33.98 76.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.884 -0.598 . . . . 15.0 110.538 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.96 -17.63 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.689 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -76.5 -49.62 16.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.737 -0.665 . . . . 15.0 109.867 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -89.49 151.4 22.01 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.834 -0.802 . . . . 15.0 108.834 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -83.62 89.52 7.13 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.313 -0.555 . . . . 15.0 111.318 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.86 173.18 6.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.352 -0.611 . . . . 15.0 109.352 178.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 82.0 m -118.87 147.31 44.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.718 0.294 . . . . 15.0 110.504 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' B' ' 12' ' ' LEU . 48.3 mt -80.22 126.16 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.306 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.59 125.96 43.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.659 -0.7 . . . . 15.0 109.972 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.479 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 74.8 m-85 -107.87 109.35 20.85 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.175 -0.466 . . . . 15.0 111.485 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -91.9 115.0 27.69 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.295 -1.002 . . . . 15.0 108.295 178.454 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 1.6 m-20 71.35 -73.58 0.1 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.918 0.761 . . . . 15.0 110.696 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.2 27.35 0.14 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.578 -0.82 . . . . 15.0 112.703 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -127.49 138.06 32.01 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 122.651 -0.323 . . . . 15.0 110.557 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -66.09 121.68 9.05 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.722 2.282 . . . . 15.0 112.467 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -126.76 144.04 51.07 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.026 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.3 -175.61 2.77 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.071 -0.513 . . . . 15.0 110.194 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' B' ' 66' ' ' CYS . 3.6 t -118.26 114.06 43.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 24.7 p -68.95 165.92 19.0 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.819 -0.437 . . . . 15.0 109.819 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 26.8 t0 -53.87 -26.74 26.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.758 0.651 . . . . 15.0 112.758 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -64.45 -59.6 4.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.063 0.458 . . . . 15.0 110.489 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . 0.478 ' HB2' ' CG1' ' B' ' 62' ' ' VAL . 0.0 OUTLIER -75.15 -30.77 60.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 13.9 tp -53.03 -52.05 59.71 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.862 0.69 . . . . 15.0 112.862 -178.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -72.35 -29.02 63.41 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.178 0.436 . . . . 15.0 112.178 -178.284 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -78.71 -29.45 45.44 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.362 0.504 . . . . 15.0 112.362 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.232 -0.889 . . . . 15.0 112.017 -178.579 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttp . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.891 -0.411 . . . . 15.0 109.891 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -84.13 167.03 17.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.579 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -133.45 179.21 6.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.644 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.04 149.36 92.2 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.076 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -95.88 27.91 17.74 Favored 'Cis proline' 0 N--CA 1.459 -0.558 0 C-N-CA 124.05 -1.229 . . . . 15.0 112.243 0.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.418 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 94.7 mt-30 -77.77 93.47 4.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.759 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.495 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 2.5 mm-40 -80.58 -0.57 38.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.984 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.495 ' NH1' ' HA ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER 68.33 148.94 0.12 Allowed Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 115.751 -0.659 . . . . 15.0 112.393 178.685 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.65 -147.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.584 2.189 . . . . 15.0 110.879 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -140.05 5.72 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.645 -0.422 . . . . 15.0 111.595 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -131.54 151.18 51.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.66 0.267 . . . . 15.0 110.841 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 40.1 tp -59.35 -54.42 56.31 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.955 -0.566 . . . . 15.0 112.401 -179.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.8 Cg_endo -55.05 -34.19 86.26 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.045 1.83 . . . . 15.0 111.928 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 13.9 mt-30 -71.25 -35.09 71.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.948 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.8 tp -73.23 -34.68 66.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.86 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.1 m -57.13 -40.94 78.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.988 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -28.72 65.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.422 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 7.8 mm-40 -70.04 -33.71 72.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.253 0.549 . . . . 15.0 109.724 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 tp -91.09 -3.46 57.11 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.573 -0.739 . . . . 15.0 110.382 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 60.91 46.98 8.03 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.589 -0.732 . . . . 15.0 111.213 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -150.19 -175.65 5.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.143 -0.481 . . . . 15.0 110.509 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.3 p -107.76 174.98 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.073 0.463 . . . . 15.0 111.628 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.3 mt -70.92 -19.06 21.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 115.755 -0.657 . . . . 15.0 111.152 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -86.96 -8.82 56.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.729 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -114.78 -32.87 5.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.274 -0.421 . . . . 15.0 111.988 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.8 tt -60.59 124.41 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-O 121.4 0.619 . . . . 15.0 111.843 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.1 mm -112.44 112.31 39.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.928 -0.578 . . . . 15.0 110.135 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 mp -117.65 160.8 20.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.164 -0.471 . . . . 15.0 110.658 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -120.11 166.25 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.876 -0.416 . . . . 15.0 109.876 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.2 t -70.73 144.87 50.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.247 0.546 . . . . 15.0 110.949 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.78 -31.64 49.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.288 -0.869 . . . . 15.0 111.978 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -116.32 -32.66 5.22 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.951 0.723 . . . . 15.0 112.951 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.6 m -82.16 -22.27 36.15 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.815 -0.354 . . . . 15.0 110.476 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 61.25 20.21 10.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.844 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.34 143.73 25.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.791 -0.64 . . . . 15.0 110.069 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -70.42 122.87 20.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.432 -0.349 . . . . 15.0 110.432 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mp -79.88 120.89 24.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.415 -0.357 . . . . 15.0 110.157 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.454 ' O ' HG21 ' A' ' 42' ' ' VAL . 17.3 mt -69.78 157.89 36.49 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.177 -0.675 . . . . 15.0 109.177 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -54.21 -28.49 41.32 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.016 0.436 . . . . 15.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -61.2 -44.15 97.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 15.0 110.182 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.65 -31.35 57.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.48 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.454 HG21 ' O ' ' A' ' 38' ' ' LEU . 47.6 t -64.7 -36.1 76.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.526 -0.546 . . . . 15.0 109.526 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -65.92 -37.48 86.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.775 -0.648 . . . . 15.0 109.917 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -33.63 76.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 15.0 110.023 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.428 ' CE2' HD23 ' A' ' 50' ' ' LEU . 14.3 t80 -70.83 -37.02 73.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.488 -0.778 . . . . 15.0 110.364 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.32 -20.85 39.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.01 0.433 . . . . 15.0 111.276 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -66.38 -25.9 67.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 15.0 110.506 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -124.27 172.8 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.903 -0.589 . . . . 15.0 110.299 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -99.29 90.43 4.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.673 -0.491 . . . . 15.0 109.673 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.428 HD23 ' CE2' ' A' ' 45' ' ' PHE . 17.0 tp -120.91 151.67 39.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.967 -0.56 . . . . 15.0 110.12 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.57 139.54 30.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.421 -0.354 . . . . 15.0 111.016 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.445 HG21 ' O ' ' A' ' 60' ' ' TYR . 21.6 mt -80.62 133.18 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.777 -0.453 . . . . 15.0 109.777 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 m -93.69 113.51 28.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.478 0.656 . . . . 15.0 111.008 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 59' ' ' PRO . 76.6 m-85 -100.44 110.05 22.22 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.109 -0.496 . . . . 15.0 109.67 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.39 125.26 46.64 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.136 -0.32 . . . . 15.0 110.136 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 71.55 -62.04 0.47 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.287 0.992 . . . . 15.0 110.73 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.75 16.73 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.591 -0.604 . . . . 15.0 111.591 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.619 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 4.6 t-20 -117.36 132.51 23.5 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 110.15 -0.315 . . . . 15.0 110.15 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.619 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 35.6 Cg_endo -67.21 116.54 4.24 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.675 2.25 . . . . 15.0 112.15 178.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 58' ' ' ASN . 38.8 m-85 -121.45 147.79 45.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.944 0.402 . . . . 15.0 110.561 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.15 170.3 8.26 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.164 -0.471 . . . . 15.0 109.901 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.5 t -98.65 113.6 33.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.328 -0.619 . . . . 15.0 109.328 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 24.8 p -69.03 167.97 14.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.268 0.556 . . . . 15.0 111.412 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -26.58 65.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.256 -0.884 . . . . 15.0 110.08 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -74.98 -58.53 3.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.65 -0.705 . . . . 15.0 110.623 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 99.0 m -59.52 -33.28 71.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.025 -0.534 . . . . 15.0 111.182 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.09 -42.97 91.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.548 179.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -80.97 -26.82 36.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.894 -0.594 . . . . 15.0 111.441 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -75.59 -52.48 10.49 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.051 0.389 . . . . 15.0 112.051 -178.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.626 -0.702 . . . . 15.0 111.031 -178.461 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptm . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.7 0.286 . . . . 15.0 110.305 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.529 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -155.63 118.92 4.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.394 -0.366 . . . . 15.0 110.127 -179.86 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.02 -165.92 2.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.251 -0.432 . . . . 15.0 110.374 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . 0.498 ' OD1' ' HA ' ' B' ' 5' ' ' PRO . 23.5 t70 -42.55 139.47 1.95 Allowed Pre-proline 0 N--CA 1.472 0.655 0 O-C-N 124.012 0.82 . . . . 15.0 112.058 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.498 ' HA ' ' OD1' ' B' ' 4' ' ' ASP . 5.7 Cg_exo -78.59 0.78 31.16 Favored 'Cis proline' 0 C--N 1.35 0.62 0 C-N-CA 124.215 -1.16 . . . . 15.0 113.849 0.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.48 ' HG2' ' CZ ' ' B' ' 2' ' ' PHE . 2.2 mp0 -73.94 118.32 16.76 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.652 -0.499 . . . . 15.0 109.652 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -82.61 -18.7 40.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.179 -0.464 . . . . 15.0 111.312 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.529 ' HD3' ' O ' ' B' ' 2' ' ' PHE . 4.2 mtm180 69.79 93.3 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.422 0 CA-C-N 116.164 -0.471 . . . . 15.0 111.171 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -76.76 -179.0 4.94 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.578 2.185 . . . . 15.0 112.127 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -106.16 -4.74 19.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.157 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -114.9 141.44 47.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.013 0.435 . . . . 15.0 110.43 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.565 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 13.4 tp -58.17 -48.68 96.6 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 113.53 0.937 . . . . 15.0 113.53 -178.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 1.8 Cg_endo -45.85 -51.03 8.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.898 2.399 . . . . 15.0 113.762 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -74.51 -29.68 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.679 0.276 . . . . 15.0 111.256 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 tp -62.24 -34.47 76.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.184 0.516 . . . . 15.0 109.818 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 51.6 m -65.53 -38.19 88.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.633 -0.712 . . . . 15.0 110.26 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -37.75 86.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 15.0 110.678 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.69 -35.7 80.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.344 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -89.24 -1.12 57.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.728 -0.669 . . . . 15.0 110.561 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 56.23 41.42 29.32 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.84 -0.618 . . . . 15.0 110.826 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -136.71 178.66 6.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.877 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 29.7 p -99.23 168.33 10.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.059 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mt -75.21 0.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.366 0.603 . . . . 15.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -101.55 -7.16 23.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 15.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -114.22 -29.81 6.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 15.0 111.643 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 15.7 tt -63.87 112.87 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.555 0.693 . . . . 15.0 111.11 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 51.0 mm -110.19 118.88 58.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.638 -0.71 . . . . 15.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' B' ' 37' ' ' LEU . 1.4 mp -114.14 155.76 25.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.921 -0.582 . . . . 15.0 109.828 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.428 ' HG3' ' CE2' ' B' ' 60' ' ' TYR . 1.6 pt-20 -103.19 161.39 13.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.766 0.317 . . . . 15.0 110.692 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . 0.516 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 53.9 t -74.37 143.96 44.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.309 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' B' ' 32' ' ' TYR . 3.2 p -77.46 -33.69 19.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.826 -0.624 . . . . 15.0 111.361 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.512 ' HB2' ' SG ' ' B' ' 66' ' ' CYS . 92.4 m-85 -96.74 -52.47 3.89 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.06 -0.256 . . . . 15.0 111.412 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 m -76.46 -25.46 54.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.655 -0.248 . . . . 15.0 111.401 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.516 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 28.8 mttt 61.43 28.61 17.96 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.468 0.651 . . . . 15.0 110.677 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -98.16 163.19 12.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.28 -0.873 . . . . 15.0 109.902 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -81.12 116.19 20.92 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.113 -0.328 . . . . 15.0 110.113 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' B' ' 28' ' ' LEU . 7.9 mp -81.08 126.07 30.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.871 0.367 . . . . 15.0 110.23 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 68.8 mt -78.27 171.98 14.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.151 -0.477 . . . . 15.0 109.778 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -59.96 -14.61 16.74 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.663 0.268 . . . . 15.0 111.474 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -60.76 -52.01 66.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.043 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.54 -31.46 65.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.59 . . . . 15.0 110.656 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.1 -38.17 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 15.0 110.96 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -71.37 -36.94 71.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.628 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -69.4 -36.3 76.62 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.01 -34.67 76.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.822 -1.081 . . . . 15.0 110.692 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.12 -33.65 22.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 15.0 111.359 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -68.52 -50.07 54.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.99 0.424 . . . . 15.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -92.83 162.46 14.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.749 -0.463 . . . . 15.0 109.749 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -81.0 80.93 7.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.47 0.652 . . . . 15.0 111.438 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.56 144.98 30.28 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.61 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.95 148.66 25.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.906 -0.588 . . . . 15.0 110.25 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 70.8 mt -80.69 131.94 32.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.933 0.397 . . . . 15.0 110.165 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -103.2 125.17 57.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.05 -0.523 . . . . 15.0 109.727 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -94.8 108.91 20.93 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.451 -0.5 . . . . 15.0 110.616 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -91.85 109.54 20.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.765 -0.652 . . . . 15.0 109.421 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 66.37 15.09 9.99 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.437 -0.801 . . . . 15.0 110.968 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.56 -7.04 49.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.717 -0.754 . . . . 15.0 112.648 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -99.83 141.28 22.5 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 110.031 -0.359 . . . . 15.0 110.031 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.07 118.46 5.45 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.723 2.282 . . . . 15.0 113.132 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . 0.428 ' CE2' ' HG3' ' B' ' 29' ' ' GLU . 7.4 m-85 -124.21 166.59 15.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.83 -0.623 . . . . 15.0 109.693 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.68 179.64 4.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.119 0.485 . . . . 15.0 111.558 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 22.0 t -120.22 121.26 65.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.537 -0.756 . . . . 15.0 110.104 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 6.8 p -83.64 176.32 9.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.66 0.267 . . . . 15.0 110.492 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.29 -27.86 67.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.051 0.453 . . . . 15.0 110.834 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -66.92 -57.74 6.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.989 -0.551 . . . . 15.0 111.053 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . 0.512 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 7.2 m -70.72 -24.18 62.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.884 -178.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -49.03 68.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.218 0.532 . . . . 15.0 111.34 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.01 -22.6 39.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.797 -0.638 . . . . 15.0 111.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.44 -54.2 6.72 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.825 0.676 . . . . 15.0 112.825 -178.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 C--O 1.255 1.392 0 CA-C-O 118.867 -0.587 . . . . 15.0 111.279 -178.596 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.518 0.199 . . . . 15.0 111.307 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -89.23 152.55 21.51 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.301 -0.259 . . . . 15.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.43 -172.52 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.072 0.463 . . . . 15.0 111.149 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.463 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 30.2 t70 -135.04 144.61 50.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.604 -0.725 . . . . 15.0 109.534 -179.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HA ' ' OD1' ' A' ' 4' ' ' ASP . 10.3 Cg_endo -90.6 -76.9 0.0 OUTLIER 'Cis proline' 0 N--CA 1.46 -0.491 0 C-N-CA 124.283 -1.132 . . . . 15.0 113.422 0.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.416 ' C ' ' H ' ' A' ' 8' ' ' ARG . 1.5 mm100 70.95 -1.41 2.68 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.54 0.736 . . . . 15.0 112.143 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 41.9 tt0 70.96 -42.34 0.53 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.546 0.738 . . . . 15.0 112.163 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.514 ' HB2' ' O ' ' A' ' 7' ' ' GLU . 3.7 mtm180 76.64 117.0 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.271 0 C-N-CA 123.624 0.77 . . . . 15.0 110.649 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -72.25 138.94 31.31 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.36 2.04 . . . . 15.0 112.421 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -90.15 6.8 41.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.205 -0.452 . . . . 15.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -125.3 134.7 52.16 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.45 -0.341 . . . . 15.0 110.185 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 23.8 tp -51.63 -51.48 69.4 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 114.093 1.146 . . . . 15.0 114.093 -177.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.8 Cg_endo -49.85 -40.61 48.4 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.466 2.11 . . . . 15.0 113.436 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -76.88 -24.92 52.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.734 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.6 tp -68.63 -34.45 75.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.8 0.333 . . . . 15.0 110.602 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 m -59.26 -35.61 74.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -66.33 -34.04 77.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.576 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -73.92 -27.34 60.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 15.0 111.15 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.4 mt -95.99 -0.53 50.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.877 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 59.47 56.95 3.49 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.542 -0.754 . . . . 15.0 111.731 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -161.15 179.74 8.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.491 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -103.81 170.58 7.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.888 0.375 . . . . 15.0 111.309 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.6 mt -65.06 -22.48 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.32 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -84.64 0.36 50.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.157 -179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -127.24 -29.42 2.74 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.006 0.372 . . . . 15.0 112.006 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.2 tt -59.21 121.85 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.513 0.673 . . . . 15.0 111.7 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 mm -110.58 120.49 61.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.707 -0.679 . . . . 15.0 109.593 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -121.51 151.07 40.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.38 -0.373 . . . . 15.0 110.151 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -100.1 155.84 17.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.393 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.6 t -68.28 143.78 55.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.043 -0.526 . . . . 15.0 110.399 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 p -62.63 -33.83 61.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.769 -0.65 . . . . 15.0 111.541 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -105.13 -54.11 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.948 0.351 . . . . 15.0 111.948 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.8 m -70.82 -25.35 62.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.108 0.411 . . . . 15.0 112.108 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 mttp 60.67 30.89 20.03 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.602 0.715 . . . . 15.0 110.08 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -102.85 142.33 34.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.076 -0.966 . . . . 15.0 110.099 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -68.26 123.04 19.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 mp -77.4 148.44 35.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.209 -0.451 . . . . 15.0 110.606 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.545 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . 66.0 mt -84.62 167.61 16.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.534 -0.543 . . . . 15.0 109.534 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.2 ptt-85 -66.11 -20.32 66.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.651 0.263 . . . . 15.0 110.969 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -64.24 -53.01 55.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.805 0.336 . . . . 15.0 110.698 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.545 ' OE1' ' HB2' ' A' ' 38' ' ' LEU . 1.1 pm0 -72.0 -33.0 67.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.259 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.433 HG13 HD22 ' A' ' 12' ' ' LEU . 24.4 t -60.85 -42.53 92.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.749 -0.463 . . . . 15.0 109.749 178.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -65.12 -42.06 94.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.954 -0.566 . . . . 15.0 110.05 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -66.12 -33.07 74.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.686 -0.688 . . . . 15.0 110.425 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -69.18 -40.18 78.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.471 -0.786 . . . . 15.0 110.437 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.62 -13.25 52.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.915 -0.584 . . . . 15.0 111.315 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -70.34 -45.5 66.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.085 -0.507 . . . . 15.0 110.034 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.5 mtm-85 -104.92 -176.08 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.228 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -96.04 88.87 5.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.151 0.5 . . . . 15.0 111.126 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.5 mt -115.66 149.92 37.58 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.882 -0.599 . . . . 15.0 109.596 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.4 p -101.15 147.84 25.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.817 0.342 . . . . 15.0 111.777 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 12' ' ' LEU . 76.1 mt -81.3 134.64 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.019 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.2 t -91.34 113.85 27.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.501 -0.555 . . . . 15.0 109.501 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 26.9 m-85 -94.19 113.08 24.95 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.058 0.456 . . . . 15.0 111.406 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.567 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -102.31 107.01 17.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.662 -0.699 . . . . 15.0 109.144 178.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.8 25.22 8.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.667 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.13 -7.96 75.91 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.812 -0.709 . . . . 15.0 112.365 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -91.94 134.85 28.11 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 110.442 -0.207 . . . . 15.0 110.442 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.3 120.36 6.5 Favored 'Trans proline' 0 CA--C 1.528 0.195 0 C-N-CA 122.722 2.281 . . . . 15.0 112.989 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -126.17 151.03 47.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.045 -0.525 . . . . 15.0 110.058 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.73 172.57 6.75 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.307 -0.406 . . . . 15.0 110.301 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.18 117.06 54.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.552 -0.536 . . . . 15.0 109.552 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 26.6 p -72.89 168.03 19.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.968 0.414 . . . . 15.0 110.601 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.77 -24.7 64.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.016 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.2 -53.95 6.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.635 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 89.6 m -65.14 -24.9 67.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 15.0 112.076 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -60.12 -36.37 77.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.245 0.545 . . . . 15.0 110.377 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -82.51 -19.34 38.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.379 -0.828 . . . . 15.0 110.442 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -79.3 -48.02 14.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.008 -0.542 . . . . 15.0 112.096 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.859 -0.591 . . . . 15.0 111.575 -178.843 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ptm . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.812 0.339 . . . . 15.0 110.267 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.65 106.75 4.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.459 -0.337 . . . . 15.0 110.5 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.32 -173.66 3.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.835 -0.621 . . . . 15.0 109.829 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . 0.487 ' OD1' ' HA ' ' B' ' 5' ' ' PRO . 26.0 t70 -42.94 140.26 1.94 Allowed Pre-proline 0 N--CA 1.47 0.569 0 O-C-N 124.026 0.829 . . . . 15.0 111.511 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.487 ' HA ' ' OD1' ' B' ' 4' ' ' ASP . 56.4 Cg_endo -69.63 -15.23 12.27 Favored 'Cis proline' 0 C--N 1.349 0.601 0 C-N-CA 124.089 -1.213 . . . . 15.0 114.623 1.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -66.46 132.36 48.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.89 0.376 . . . . 15.0 110.662 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -113.0 -6.75 13.73 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.806 -0.358 . . . . 15.0 111.452 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 64.45 89.1 0.11 Allowed Pre-proline 0 C--O 1.233 0.216 0 CA-C-O 121.075 0.464 . . . . 15.0 110.522 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -73.08 168.73 23.98 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.556 2.171 . . . . 15.0 112.386 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -91.41 0.93 57.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.177 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -104.86 122.05 44.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.527 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 15.1 tp -52.6 -52.31 65.14 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 116.006 -0.543 . . . . 15.0 111.934 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 19.2 Cg_endo -59.64 -33.8 96.59 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.091 1.861 . . . . 15.0 112.549 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -74.51 -27.84 60.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.722 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.97 -34.68 79.01 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.825 -0.806 . . . . 15.0 108.825 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 7.5 m -65.06 -30.09 71.03 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.579 -0.737 . . . . 15.0 109.849 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -43.58 83.22 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.856 -0.611 . . . . 15.0 110.495 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -68.73 -35.89 77.71 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.075 0.464 . . . . 15.0 109.93 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 38.3 mt -74.93 -10.89 59.92 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.518 -0.764 . . . . 15.0 110.369 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 60.47 40.35 17.24 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.662 -0.699 . . . . 15.0 110.951 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -138.68 -172.37 3.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.46 -0.791 . . . . 15.0 109.57 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 38.2 p -108.04 172.4 6.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 15.0 111.426 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.39 1.98 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.348 0.594 . . . . 15.0 110.754 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -104.59 -1.87 25.9 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.742 -0.466 . . . . 15.0 109.742 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -121.37 -20.21 6.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.981 -0.554 . . . . 15.0 111.429 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 tt -67.61 125.55 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.008 0.432 . . . . 15.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 33.6 mm -129.21 126.03 63.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.613 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -117.72 160.58 21.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.713 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -110.48 158.97 17.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.925 0.393 . . . . 15.0 111.199 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 43.1 t -68.23 140.97 56.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.51 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -72.08 -22.01 20.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.972 -0.558 . . . . 15.0 111.246 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -106.96 -43.69 4.59 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 15.2 m -85.65 -21.3 28.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.986 0.365 . . . . 15.0 111.986 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.7 mptt 63.56 15.41 8.84 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.291 -0.413 . . . . 15.0 110.728 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -93.27 144.33 25.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.243 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -72.09 132.36 44.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.972 0.415 . . . . 15.0 111.343 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mp -87.98 141.8 28.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.867 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 40.6 mt -80.02 162.29 24.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.342 -0.39 . . . . 15.0 110.369 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -52.45 -36.78 55.4 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.838 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -62.07 -44.86 95.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.892 -0.595 . . . . 15.0 110.659 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.06 -33.67 70.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.183 -0.462 . . . . 15.0 110.666 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.9 t -62.18 -40.02 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.059 0.457 . . . . 15.0 109.884 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -74.4 -32.37 62.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.342 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.34 -34.62 77.7 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.028 -0.73 . . . . 15.0 109.028 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.36 -44.43 87.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.001 -1.0 . . . . 15.0 110.278 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.47 -13.19 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.886 -0.597 . . . . 15.0 111.504 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.08 -33.76 76.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.503 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -114.3 -177.89 3.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.839 -0.43 . . . . 15.0 109.839 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.78 84.88 7.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.076 0.465 . . . . 15.0 110.698 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.3 mp -116.55 150.53 37.83 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.219 -0.66 . . . . 15.0 109.219 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.91 148.93 27.07 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.717 0.294 . . . . 15.0 111.18 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -80.26 123.1 36.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.336 -0.616 . . . . 15.0 109.336 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.21 136.22 24.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.328 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -104.73 110.29 22.57 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -92.2 111.4 22.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.429 -0.952 . . . . 15.0 108.429 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 70.99 -72.14 0.12 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 124.029 0.831 . . . . 15.0 110.763 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.98 16.96 0.12 Allowed Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.135 -0.786 . . . . 15.0 111.135 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.95 145.16 39.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 110.173 -0.306 . . . . 15.0 110.173 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.54 121.54 7.8 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.387 2.058 . . . . 15.0 111.691 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -122.27 167.89 12.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.091 -0.504 . . . . 15.0 110.34 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.36 178.75 5.85 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.556 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 34.5 t -113.36 123.8 69.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.767 -0.827 . . . . 15.0 108.767 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 28.8 p -73.67 174.58 8.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.297 0.57 . . . . 15.0 111.22 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.25 -16.55 63.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.414 -0.812 . . . . 15.0 110.805 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -81.72 -55.53 4.58 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.847 -0.615 . . . . 15.0 110.429 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 m -70.45 -18.72 63.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 15.0 111.553 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -43.15 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.035 -0.529 . . . . 15.0 112.199 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.67 -21.14 38.3 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.927 -0.309 . . . . 15.0 111.763 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -77.58 -41.73 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.843 0.354 . . . . 15.0 111.694 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.78 -0.628 . . . . 15.0 110.709 -178.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.54 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 20.5 ptm . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 110.07 -0.344 . . . . 15.0 110.07 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.427 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -141.03 107.18 5.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.184 0.516 . . . . 15.0 110.665 179.572 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.95 -166.54 2.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.577 -0.738 . . . . 15.0 110.277 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -46.76 141.62 5.33 Favored Pre-proline 0 C--O 1.236 0.35 0 O-C-N 123.606 0.566 . . . . 15.0 111.176 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -86.48 9.04 60.95 Favored 'Cis proline' 0 C--N 1.345 0.393 0 C-N-CA 123.676 -1.385 . . . . 15.0 113.771 1.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.29 129.91 38.22 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.176 -0.305 . . . . 15.0 110.176 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -91.42 -17.59 25.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.587 -0.279 . . . . 15.0 110.643 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.504 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 4.4 mtm180 69.88 82.98 0.17 Allowed Pre-proline 0 C--O 1.234 0.271 0 CA-C-N 116.041 -0.527 . . . . 15.0 111.873 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -75.67 161.94 36.1 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.589 2.192 . . . . 15.0 111.313 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -92.8 4.26 54.14 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.998 0.37 . . . . 15.0 111.998 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -114.76 136.37 53.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.776 0.322 . . . . 15.0 110.281 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 26.9 tp -55.77 -54.68 49.11 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 113.541 0.941 . . . . 15.0 113.541 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 12.4 Cg_endo -56.11 -35.53 95.13 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.019 1.813 . . . . 15.0 112.638 -179.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -73.37 -38.07 65.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.675 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -63.91 -34.78 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -56.51 -35.08 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -48.15 76.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.093 0.473 . . . . 15.0 111.202 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.84 -27.58 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.814 -0.63 . . . . 15.0 110.699 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.15 -9.29 58.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.841 -0.618 . . . . 15.0 110.207 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 62.34 40.37 11.29 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.584 -0.735 . . . . 15.0 111.619 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -146.35 -175.14 4.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.067 -0.515 . . . . 15.0 109.884 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.5 p -118.47 177.72 4.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.751 0.31 . . . . 15.0 110.486 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mt -73.3 -11.05 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.442 0.639 . . . . 15.0 110.106 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -83.82 -18.77 36.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.872 -0.603 . . . . 15.0 110.314 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -142.49 71.12 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.138 0.494 . . . . 15.0 111.376 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 tt -138.64 124.46 23.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.065 0.459 . . . . 15.0 110.142 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.7 mm -111.52 110.37 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.974 0.416 . . . . 15.0 110.567 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mp -112.53 153.79 26.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.399 -0.593 . . . . 15.0 109.399 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -109.32 155.53 21.06 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.826 0.346 . . . . 15.0 110.836 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 43.0 t -72.45 145.39 47.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.779 -0.646 . . . . 15.0 110.75 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.89 -27.61 16.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.805 -0.634 . . . . 15.0 111.718 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.451 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 42.2 m-85 -106.83 -44.93 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.999 0.37 . . . . 15.0 111.999 -178.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.6 m -86.81 -22.92 25.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.554 0.216 . . . . 15.0 111.233 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 8.6 mttt 61.12 29.18 18.72 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.334 0.588 . . . . 15.0 110.556 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.45 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 31.2 mm-40 -91.63 153.23 19.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.57 -0.741 . . . . 15.0 110.021 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -82.14 121.23 26.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.376 -0.375 . . . . 15.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.1 140.68 33.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.25 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' O ' HG22 ' A' ' 42' ' ' VAL . 65.5 mt -95.93 171.76 8.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.138 0.494 . . . . 15.0 111.442 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -58.86 -22.39 58.94 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.364 -0.834 . . . . 15.0 111.282 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -65.13 -52.52 54.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.545 . . . . 15.0 111.533 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -79.35 -27.0 41.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.488 -0.324 . . . . 15.0 111.588 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 38' ' ' LEU . 39.7 t -58.98 -39.93 79.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 15.0 110.817 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -69.65 -36.87 76.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.872 0.368 . . . . 15.0 110.71 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.88 -30.63 71.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.319 0.581 . . . . 15.0 109.944 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -64.56 -39.76 94.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.17 -0.923 . . . . 15.0 110.492 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.57 -20.77 29.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 15.0 111.262 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -68.06 -33.73 75.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.505 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -111.85 172.09 7.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.63 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -89.88 79.71 6.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.484 . . . . 15.0 111.19 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.69 166.84 10.12 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.019 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.3 m -123.5 147.28 47.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.037 -0.529 . . . . 15.0 110.312 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.451 HG23 HD12 ' A' ' 52' ' ' ILE . 56.3 mt -83.52 130.22 36.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.478 -0.328 . . . . 15.0 110.223 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.81 134.56 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.905 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.504 ' CE1' ' HB3' ' A' ' 8' ' ' ARG . 23.7 m-85 -115.9 109.6 17.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.187 0.518 . . . . 15.0 111.805 -178.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.402 HH11 ' HB2' ' A' ' 56' ' ' ASP . 6.8 tmm_? -101.58 121.06 41.3 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.304 -0.998 . . . . 15.0 108.304 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' HB2' HH11 ' A' ' 55' ' ' ARG . 0.7 OUTLIER 71.7 -69.01 0.2 Allowed 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.987 0.804 . . . . 15.0 110.499 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.89 29.0 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.719 -0.673 . . . . 15.0 111.5 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.54 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 76.6 m-20 -124.92 146.22 52.62 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 110.25 -0.278 . . . . 15.0 110.25 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.33 118.49 4.94 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.622 2.215 . . . . 15.0 112.477 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -122.11 146.93 46.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.382 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.81 170.08 8.27 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.039 -0.528 . . . . 15.0 110.875 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.3 t -100.15 113.88 37.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.589 -0.732 . . . . 15.0 109.603 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 27.0 p -77.34 179.72 6.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.239 0.542 . . . . 15.0 111.709 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -63.7 -25.18 68.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.451 -0.795 . . . . 15.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -82.79 -54.71 4.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.524 . . . . 15.0 111.308 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 54.4 m -71.26 -17.44 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.64 0.607 . . . . 15.0 112.64 -178.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.1 -45.49 61.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.971 0.415 . . . . 15.0 111.734 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -79.77 -18.69 50.46 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.764 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -78.37 -50.39 11.83 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.257 0.466 . . . . 15.0 112.257 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.346 -0.835 . . . . 15.0 111.1 -178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.688 0.28 . . . . 15.0 110.491 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -133.3 141.9 48.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.164 -0.471 . . . . 15.0 110.217 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -84.31 174.03 10.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.438 0.637 . . . . 15.0 112.053 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.57 145.76 45.47 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 114.932 -1.031 . . . . 15.0 109.681 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -88.34 -82.76 0.0 OUTLIER 'Cis proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.937 -1.276 . . . . 15.0 112.145 0.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -100.87 78.16 1.92 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.97 0.414 . . . . 15.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -88.78 14.52 10.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 122.28 1.038 . . . . 15.0 108.474 178.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.562 ' HG3' ' CZ ' ' B' ' 54' ' ' TYR . 0.0 OUTLIER -137.75 151.8 71.31 Favored Pre-proline 0 N--CA 1.449 -0.522 0 CA-C-N 114.628 -1.169 . . . . 15.0 110.169 -178.779 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.445 ' HD3' ' HG3' ' B' ' 18' ' ' GLU . 66.1 Cg_endo -90.8 160.38 4.12 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.963 2.442 . . . . 15.0 112.548 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -87.94 -0.85 57.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.394 -0.366 . . . . 15.0 111.43 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.453 ' HD2' ' OE1' ' B' ' 14' ' ' GLN . 90.2 mttt -102.46 130.03 49.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.416 -0.357 . . . . 15.0 110.332 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.456 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 39.4 tp -54.17 -54.44 47.59 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 113.059 0.763 . . . . 15.0 113.059 -179.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 13.0 Cg_endo -56.02 -36.0 95.42 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.063 1.842 . . . . 15.0 112.846 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.453 ' OE1' ' HD2' ' B' ' 11' ' ' LYS . 20.2 mt-30 -73.92 -34.9 64.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.369 -0.378 . . . . 15.0 110.491 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 40.8 tp -63.0 -39.35 94.49 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 116.418 -0.355 . . . . 15.0 110.407 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.8 m -58.45 -43.5 88.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 15.0 109.844 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 14.7 m -64.24 -44.14 92.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.792 -0.64 . . . . 15.0 111.045 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.445 ' HG3' ' HD3' ' B' ' 9' ' ' PRO . 81.3 mm-40 -65.1 -35.7 81.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.55 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -81.42 -2.14 48.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.677 -0.692 . . . . 15.0 110.897 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 57.83 45.86 17.87 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 121.222 0.534 . . . . 15.0 110.922 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -148.08 179.48 7.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.009 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 71.5 p -98.76 176.1 5.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.58 0.228 . . . . 15.0 110.47 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 6.2 mt -77.27 -12.76 14.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.515 0.674 . . . . 15.0 110.191 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -95.12 -23.54 17.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.552 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -106.4 4.73 28.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.173 -0.467 . . . . 15.0 111.701 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.3 tt -80.79 124.39 38.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.216 0.531 . . . . 15.0 110.19 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 mm -99.75 106.77 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.076 0.465 . . . . 15.0 111.002 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.1 143.74 51.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.637 -0.71 . . . . 15.0 109.542 178.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' B' ' 36' ' ' GLN . 4.5 pt-20 -116.97 166.95 11.59 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.703 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 40.7 t -67.79 143.81 55.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.183 0.516 . . . . 15.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.51 -25.58 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.333 -0.848 . . . . 15.0 111.754 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -117.73 -47.08 2.63 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.418 0.525 . . . . 15.0 112.418 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 18.7 m -68.1 -24.49 65.04 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.525 0.203 . . . . 15.0 110.976 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 tptp 64.22 15.95 9.73 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.905 -0.589 . . . . 15.0 111.353 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.23 139.66 35.59 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.552 -0.536 . . . . 15.0 109.552 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' B' ' 29' ' ' GLU . 18.4 pt20 -65.72 139.33 58.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.932 0.396 . . . . 15.0 110.907 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -84.7 142.9 29.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.895 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.437 ' O ' HG22 ' B' ' 42' ' ' VAL . 51.0 mt -82.71 149.1 27.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.961 -0.755 . . . . 15.0 108.961 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.429 ' HE ' ' HB3' ' B' ' 39' ' ' ARG . 0.0 OUTLIER -52.59 -28.6 21.78 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.376 0.51 . . . . 15.0 112.376 -178.549 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -61.48 -46.22 90.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.621 0.248 . . . . 15.0 110.624 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -74.93 -30.13 61.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.931 0.396 . . . . 15.0 110.089 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.437 HG22 ' O ' ' B' ' 38' ' ' LEU . 60.7 t -64.16 -34.89 71.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.046 -0.524 . . . . 15.0 109.64 178.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -62.26 -44.9 95.5 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.024 178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -70.44 -27.71 64.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.521 . . . . 15.0 110.488 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -63.33 -35.62 81.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.762 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.95 -20.09 29.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.295 0.569 . . . . 15.0 110.298 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -75.18 -40.09 59.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.502 -0.772 . . . . 15.0 109.619 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -95.58 162.21 13.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.593 -0.731 . . . . 15.0 109.845 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -84.71 95.56 8.96 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.496 -0.557 . . . . 15.0 109.496 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.7 mt -132.95 142.59 48.96 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.409 -0.36 . . . . 15.0 110.591 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.5 m -100.71 155.51 17.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 62.5 mt -80.61 132.72 31.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.792 0.33 . . . . 15.0 110.687 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 t -90.99 136.29 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.342 -0.614 . . . . 15.0 109.342 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.562 ' CZ ' ' HG3' ' B' ' 8' ' ' ARG . 50.0 m-85 -120.9 110.2 16.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.085 0.469 . . . . 15.0 111.96 -178.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 0.7 OUTLIER -103.37 115.88 31.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.092 -1.077 . . . . 15.0 108.092 178.035 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 10.1 t70 73.4 -52.92 0.7 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.823 0.702 . . . . 15.0 110.613 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 174.15 -26.47 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 121.173 -0.537 . . . . 15.0 112.379 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -71.86 143.16 86.42 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.55 0.214 . . . . 15.0 110.594 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -74.53 122.43 7.42 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.706 2.271 . . . . 15.0 112.473 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -123.01 149.45 44.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.083 0.468 . . . . 15.0 110.723 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.99 -176.24 2.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.765 -0.652 . . . . 15.0 110.201 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 t -118.77 119.8 62.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.556 -0.535 . . . . 15.0 109.556 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 2.1 p -80.48 170.81 15.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.468 0.175 . . . . 15.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -53.14 -36.09 60.44 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.981 -0.554 . . . . 15.0 111.429 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.565 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 9.1 mtpt -64.57 -54.55 30.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.248 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 17.3 m -73.03 -27.07 61.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.787 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -59.06 -33.89 71.31 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.456 0.539 . . . . 15.0 112.456 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 61.0 pttt -78.66 -22.87 46.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.764 0.316 . . . . 15.0 110.597 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -77.66 -51.42 10.64 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.196 0.443 . . . . 15.0 112.196 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.398 -0.811 . . . . 15.0 111.748 -177.82 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptm . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.879 0.371 . . . . 15.0 110.276 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.514 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -137.76 124.47 21.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.106 -0.497 . . . . 15.0 109.87 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.48 -160.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.692 -0.484 . . . . 15.0 109.692 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.432 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 9.1 t70 -46.6 143.56 3.99 Favored Pre-proline 0 N--CA 1.471 0.577 0 O-C-N 123.794 0.684 . . . . 15.0 111.313 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.432 ' HA ' ' OD1' ' A' ' 4' ' ' ASP . 74.0 Cg_endo -76.79 -3.41 26.54 Favored 'Cis proline' 0 C--N 1.35 0.607 0 C-N-CA 123.691 -1.379 . . . . 15.0 113.7 1.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -73.31 119.07 17.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.94 0.4 . . . . 15.0 109.948 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -89.94 -15.52 31.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.159 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.514 ' HD3' ' O ' ' A' ' 2' ' ' PHE . 9.0 mtm180 68.32 86.92 0.12 Allowed Pre-proline 0 N--CA 1.462 0.156 0 O-C-N 123.886 0.741 . . . . 15.0 110.579 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.05 165.37 31.52 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.621 2.214 . . . . 15.0 112.05 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -95.41 21.52 8.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.093 0.473 . . . . 15.0 110.775 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -125.64 125.11 42.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.584 . . . . 15.0 110.055 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 49.5 tp -52.67 -53.18 56.92 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 113.393 0.886 . . . . 15.0 113.393 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 12.3 Cg_endo -55.89 -33.93 90.21 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.326 2.017 . . . . 15.0 113.149 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -84.67 -33.49 23.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.901 0.382 . . . . 15.0 110.65 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.3 tp -62.0 -38.31 88.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.972 -0.558 . . . . 15.0 110.225 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.0 m -59.71 -36.34 76.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.498 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -65.86 -40.67 91.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.674 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.99 -37.0 85.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 15.0 110.577 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.57 0.72 55.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.557 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 58.76 45.51 15.51 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.308 0.38 . . . . 15.0 111.281 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -152.05 -170.18 3.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.723 -0.217 . . . . 15.0 110.513 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.7 p -122.94 177.62 5.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.954 0.407 . . . . 15.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.4 mt -67.87 -19.1 24.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.957 -0.565 . . . . 15.0 111.078 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -83.66 -3.26 57.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.139 -0.482 . . . . 15.0 111.421 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -132.09 -27.03 1.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.235 0.457 . . . . 15.0 112.235 -178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.2 tt -55.79 134.02 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 121.301 0.572 . . . . 15.0 111.482 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.7 mm -102.73 115.98 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.77 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.415 HD21 ' HB1' ' A' ' 61' ' ' ALA . 1.1 mp -124.37 139.08 54.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.881 -0.6 . . . . 15.0 109.79 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.433 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 4.2 pt-20 -122.87 164.16 18.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.881 -0.145 . . . . 15.0 110.719 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.8 t -67.97 137.3 55.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.126 0.489 . . . . 15.0 110.817 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.488 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 10.0 p -66.93 -26.99 38.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.814 -0.63 . . . . 15.0 111.554 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -105.61 -54.64 2.45 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.048 0.388 . . . . 15.0 112.048 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.0 m -74.59 -22.27 59.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.014 0.376 . . . . 15.0 112.014 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 mptt 63.21 25.5 14.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.23 0.538 . . . . 15.0 110.903 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -90.0 134.05 34.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.937 -0.574 . . . . 15.0 109.499 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -68.92 120.53 14.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.902 0.382 . . . . 15.0 110.533 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -85.53 122.48 29.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.944 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.2 mt -64.58 147.66 52.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.411 -0.589 . . . . 15.0 109.411 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -53.71 -29.86 41.1 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.759 0.314 . . . . 15.0 111.401 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.407 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 48.9 ttp180 -60.68 -40.82 93.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.277 -0.42 . . . . 15.0 110.679 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.85 -33.01 65.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.927 -0.578 . . . . 15.0 109.775 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.48 -33.22 60.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.528 -0.76 . . . . 15.0 110.375 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.407 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 20.0 m-85 -61.9 -31.68 71.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 15.0 110.343 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -30.96 60.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.333 0.587 . . . . 15.0 109.594 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -65.97 -38.52 88.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.171 -0.922 . . . . 15.0 110.082 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.68 -16.67 50.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.015 -0.538 . . . . 15.0 111.763 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -77.18 -22.59 52.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.357 0.599 . . . . 15.0 109.936 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -116.53 171.49 7.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.017 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -93.48 95.53 9.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.623 -0.51 . . . . 15.0 109.623 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -122.54 154.93 37.23 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.632 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.16 148.24 22.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.725 -0.67 . . . . 15.0 111.061 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.2 mt -95.3 123.38 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.02 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.7 137.27 22.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.794 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -116.09 124.5 50.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.1 107.16 18.99 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.155 -0.683 . . . . 15.0 109.155 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t70 68.96 -74.07 0.08 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.043 0.839 . . . . 15.0 110.898 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.35 12.55 0.27 Allowed Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.796 -0.522 . . . . 15.0 111.796 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -114.29 137.62 22.63 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.44 130.06 21.53 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.877 2.384 . . . . 15.0 111.974 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.488 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 9.2 m-85 -130.3 166.5 20.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.965 0.412 . . . . 15.0 110.839 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.415 ' HB1' HD21 ' A' ' 28' ' ' LEU . . . -121.66 -176.42 3.31 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.927 -0.579 . . . . 15.0 110.948 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.6 t -123.44 122.44 65.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.694 -0.685 . . . . 15.0 109.533 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 25.6 p -74.03 173.18 10.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.668 0.271 . . . . 15.0 110.761 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.26 -23.19 67.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.195 0.521 . . . . 15.0 110.613 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -75.95 -56.71 4.41 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.828 -0.624 . . . . 15.0 110.496 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 64.0 m -71.97 -19.23 61.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.546 -0.752 . . . . 15.0 111.627 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.7 OUTLIER -57.72 -46.85 83.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.171 0.51 . . . . 15.0 111.479 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -83.08 -25.05 32.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.231 0.538 . . . . 15.0 110.582 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -50.48 20.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.63 -0.714 . . . . 15.0 112.298 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 . . . . . 0 C--O 1.244 0.787 0 CA-C-O 118.505 -0.759 . . . . 15.0 110.665 -179.024 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.034 -0.358 . . . . 15.0 110.034 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.425 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 0.0 OUTLIER -143.03 111.66 6.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.201 0.524 . . . . 15.0 110.977 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.433 ' HA ' ' NH1' ' B' ' 8' ' ' ARG . 4.5 pm0 -137.74 -166.74 2.01 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.31 151.89 45.86 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 109.99 -0.374 . . . . 15.0 109.99 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -87.01 24.49 17.56 Favored 'Cis proline' 0 CA--C 1.533 0.427 0 C-N-CA 124.271 -1.137 . . . . 15.0 114.09 0.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -72.81 141.13 48.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.369 -0.604 . . . . 15.0 109.369 178.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.57 -36.71 71.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.718 0.294 . . . . 15.0 110.839 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.433 ' NH1' ' HA ' ' B' ' 3' ' ' GLN . 62.2 mtm180 61.78 71.77 0.72 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.541 -0.754 . . . . 15.0 111.111 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.2 170.17 13.79 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.408 2.072 . . . . 15.0 111.933 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.89 2.78 38.49 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.962 -0.295 . . . . 15.0 111.617 -179.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -116.76 132.14 56.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.912 -0.403 . . . . 15.0 109.912 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 37.8 tp -52.07 -51.15 74.08 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 113.063 0.764 . . . . 15.0 113.063 -178.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.4 Cg_endo -55.89 -34.15 90.82 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.054 1.836 . . . . 15.0 112.637 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -77.76 -33.32 52.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.892 0.377 . . . . 15.0 110.351 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.8 tp -65.85 -34.54 78.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.204 0.526 . . . . 15.0 109.679 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.1 m -61.13 -37.65 83.57 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.614 -0.721 . . . . 15.0 110.081 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -40.27 93.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.324 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.66 -33.8 76.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.899 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mt -86.53 -3.9 59.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.603 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 60.92 41.62 14.05 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.554 -0.748 . . . . 15.0 111.216 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -144.1 -175.24 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.94 -0.573 . . . . 15.0 109.843 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p -110.13 172.13 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.953 0.406 . . . . 15.0 111.343 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 5.8 mt -71.57 -7.18 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.441 0.639 . . . . 15.0 110.447 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -93.5 -6.56 46.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.531 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -125.57 -25.5 3.7 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.02 0.378 . . . . 15.0 112.02 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 21.2 tt -61.5 125.26 17.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.367 0.603 . . . . 15.0 111.281 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 47.7 mm -114.47 114.01 45.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.939 -0.573 . . . . 15.0 109.98 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -111.8 160.91 16.89 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.164 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -107.71 151.99 24.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.399 -0.364 . . . . 15.0 110.627 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 41.7 t -69.31 137.97 53.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.305 -0.407 . . . . 15.0 110.413 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.3 p -68.87 -25.0 29.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.701 -0.681 . . . . 15.0 111.784 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -110.81 -55.36 2.49 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.801 -0.359 . . . . 15.0 111.867 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 m -68.53 -21.67 64.55 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.619 0.229 . . . . 15.0 111.619 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm 59.55 30.03 19.65 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.018 -0.537 . . . . 15.0 111.178 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -105.46 169.2 8.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.515 -0.311 . . . . 15.0 110.521 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -77.62 123.51 26.73 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.885 -0.783 . . . . 15.0 108.885 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.64 132.83 49.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.868 0.366 . . . . 15.0 111.028 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.433 ' O ' HG23 ' B' ' 42' ' ' VAL . 57.1 mt -76.23 164.66 25.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.886 -0.597 . . . . 15.0 110.336 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -54.45 -44.95 72.97 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.43 -0.35 . . . . 15.0 111.336 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -65.5 -37.04 85.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.58 -0.282 . . . . 15.0 111.18 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.448 ' OE2' ' HB2' ' B' ' 63' ' ' CYS . 53.7 mt-10 -66.51 -40.49 89.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.746 0.307 . . . . 15.0 110.317 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 38' ' ' LEU . 58.7 t -65.89 -42.7 92.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.12 0.486 . . . . 15.0 109.847 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -66.05 -35.27 80.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.949 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -35.86 82.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.093 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -67.25 -33.43 75.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.054 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.65 -15.99 55.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 15.0 111.118 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -93.48 -39.83 10.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.544 . . . . 15.0 110.74 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -93.95 133.95 36.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.218 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.23 95.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.439 0.638 . . . . 15.0 110.93 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mt -131.53 179.21 6.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.274 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 9.3 p -127.05 151.67 48.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.169 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . 0.445 HD11 ' HA ' ' B' ' 12' ' ' LEU . 77.2 mt -80.29 122.45 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.951 0.405 . . . . 15.0 110.603 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.69 114.32 31.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.766 -0.652 . . . . 15.0 110.608 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -93.48 111.01 22.58 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.146 0.498 . . . . 15.0 110.495 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -98.35 114.05 26.23 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.597 -0.89 . . . . 15.0 108.597 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t70 73.72 -51.41 0.7 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 124.05 0.844 . . . . 15.0 111.616 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.51 8.77 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.747 -0.74 . . . . 15.0 112.529 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.46 140.47 21.35 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.862 -0.421 . . . . 15.0 109.862 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -64.28 107.15 0.77 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.372 2.048 . . . . 15.0 111.677 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -117.31 147.27 42.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.878 -0.601 . . . . 15.0 110.309 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.15 168.95 13.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.117 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 t -97.78 113.12 31.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.575 -0.898 . . . . 15.0 108.575 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . 0.448 ' HB2' ' OE2' ' B' ' 41' ' ' GLU . 29.5 p -73.15 173.06 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.962 0.41 . . . . 15.0 111.574 -178.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.01 -21.77 65.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.634 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.521 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 0.7 OUTLIER -82.68 -50.47 8.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.973 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 66.0 m -69.99 -26.39 64.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.733 0.301 . . . . 15.0 111.204 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.59 -43.86 89.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 15.0 111.769 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -79.49 -13.48 59.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.637 0.256 . . . . 15.0 111.215 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.05 -26.85 54.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 15.0 111.228 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.544 -0.741 . . . . 15.0 111.222 -179.054 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptm . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.444 -0.206 . . . . 15.0 110.444 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.466 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -155.18 113.21 3.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.891 0.377 . . . . 15.0 110.239 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.83 -162.1 1.16 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.976 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.88 154.85 12.86 Favored Pre-proline 0 N--CA 1.465 0.301 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.456 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.87 4.52 19.74 Favored 'Cis proline' 0 C--N 1.347 0.49 0 C-N-CA 123.653 -1.394 . . . . 15.0 113.277 0.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -79.61 108.02 12.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.378 -0.374 . . . . 15.0 110.263 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -75.22 -13.69 60.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.373 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' A' ' 2' ' ' PHE . 5.8 mtm180 67.89 92.37 0.06 OUTLIER Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 115.739 -0.664 . . . . 15.0 111.086 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -63.93 158.83 45.16 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.221 1.947 . . . . 15.0 111.254 178.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -93.38 18.66 9.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.038 0.447 . . . . 15.0 111.204 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -128.38 129.11 45.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.914 -0.585 . . . . 15.0 109.757 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 37.2 tp -50.53 -52.78 52.5 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 113.708 1.003 . . . . 15.0 113.708 -178.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 9.3 Cg_endo -52.85 -35.88 71.93 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 122.467 2.111 . . . . 15.0 113.761 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -85.47 -24.97 27.17 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.547 0.203 . . . . 15.0 111.547 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.9 tp -72.3 -34.55 68.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 15.0 110.698 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.537 ' SG ' HG12 ' A' ' 23' ' ' ILE . 58.9 m -59.48 -40.6 87.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.562 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -31.54 72.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 15.0 111.18 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.71 -37.94 89.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.211 0.529 . . . . 15.0 110.006 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.2 mt -84.77 -2.81 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.44 -0.8 . . . . 15.0 110.295 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 61.4 32.3 19.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.525 -0.761 . . . . 15.0 111.228 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -130.91 178.66 6.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.092 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.4 p -101.08 168.14 9.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.031 0.444 . . . . 15.0 111.448 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.537 HG12 ' SG ' ' A' ' 16' ' ' CYS . 11.5 mt -69.01 -11.1 14.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.629 0.728 . . . . 15.0 110.352 179.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.412 ' HA ' ' HH ' ' A' ' 43' ' ' TYR . 42.8 m-70 -91.12 -0.51 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.546 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -125.74 -32.1 2.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.247 0.462 . . . . 15.0 112.247 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 tt -61.38 124.03 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.257 0.551 . . . . 15.0 111.431 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 mm -113.47 108.99 26.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.991 -0.55 . . . . 15.0 110.393 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tp -109.96 156.06 20.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.247 -0.433 . . . . 15.0 109.973 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 2.8 pt-20 -113.72 162.47 16.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.668 -0.242 . . . . 15.0 110.523 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 44.3 t -67.39 140.54 57.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.254 0.549 . . . . 15.0 111.176 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.8 p -74.21 -18.44 17.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.376 -0.829 . . . . 15.0 111.328 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -101.83 -65.04 1.01 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.223 0.453 . . . . 15.0 112.223 -178.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.74 -2.95 58.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.599 0.592 . . . . 15.0 112.599 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 8.9 mptt 60.59 25.62 15.32 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.717 0.407 . . . . 15.0 111.972 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.425 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 3.6 mm-40 -77.32 133.31 38.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.498 -0.319 . . . . 15.0 110.254 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -70.88 119.02 14.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.751 0.31 . . . . 15.0 110.283 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mp -79.9 132.8 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.796 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.439 HD22 ' H ' ' A' ' 40' ' ' ARG . 0.4 OUTLIER -76.49 155.94 33.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.066 -0.716 . . . . 15.0 109.066 178.852 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -50.55 -32.1 17.54 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.926 0.393 . . . . 15.0 111.412 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.439 ' H ' HD22 ' A' ' 38' ' ' LEU . 54.2 ttp180 -61.24 -45.0 96.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.67 -0.695 . . . . 15.0 111.259 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.98 -27.51 60.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.031 -0.531 . . . . 15.0 110.439 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 38' ' ' LEU . 98.2 t -64.89 -36.01 76.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.82 -0.627 . . . . 15.0 110.044 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.412 ' HH ' ' HA ' ' A' ' 24' ' ' HIS . 18.8 m-85 -67.91 -35.02 77.73 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.047 -0.524 . . . . 15.0 110.06 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.65 -30.02 69.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.725 -0.67 . . . . 15.0 110.112 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -71.0 -34.06 71.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.139 -0.937 . . . . 15.0 110.61 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.43 -17.98 37.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.722 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -91.74 16.7 10.19 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.916 0.389 . . . . 15.0 111.292 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.91 154.3 38.09 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.475 -0.565 . . . . 15.0 109.475 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -78.14 78.02 4.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.436 0.636 . . . . 15.0 110.505 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.4 mt -116.02 160.43 20.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.731 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.29 155.72 31.29 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.078 0.466 . . . . 15.0 110.929 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' A' ' 12' ' ' LEU . 50.6 mt -87.45 126.86 41.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.529 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.9 t -93.4 119.21 40.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.314 -0.624 . . . . 15.0 109.314 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -93.65 111.97 23.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.23 0.538 . . . . 15.0 111.461 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.89 104.57 12.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.504 -0.771 . . . . 15.0 109.051 179.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 t70 69.13 -70.46 0.14 Allowed 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.99 0.806 . . . . 15.0 111.053 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -162.45 33.73 0.33 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.787 -0.721 . . . . 15.0 112.576 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -138.23 145.66 48.3 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 110.365 -0.235 . . . . 15.0 110.365 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -69.57 118.97 6.0 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.75 2.3 . . . . 15.0 112.832 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.428 ' CE2' ' HG3' ' A' ' 29' ' ' GLU . 37.3 m-85 -131.93 147.11 52.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.027 179.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -112.02 -176.46 2.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.761 0.315 . . . . 15.0 110.536 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 t -113.56 120.16 62.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.228 -0.656 . . . . 15.0 109.228 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 25.9 p -72.33 171.52 12.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.073 0.464 . . . . 15.0 111.095 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -63.51 -19.24 64.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.685 -0.688 . . . . 15.0 110.511 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -78.55 -58.92 3.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.859 -0.61 . . . . 15.0 111.033 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 16.6 m -72.72 -22.75 60.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.608 0.596 . . . . 15.0 112.608 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.3 -47.87 55.39 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.034 0.383 . . . . 15.0 112.034 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -77.67 -24.56 49.31 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.25 0.463 . . . . 15.0 112.25 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -76.19 -49.85 16.12 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.811 0.671 . . . . 15.0 112.811 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 . . . . . 0 C--O 1.254 1.325 0 CA-C-O 118.671 -0.68 . . . . 15.0 111.969 -177.481 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tmm? . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -87.58 138.33 31.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.869 0.366 . . . . 15.0 111.186 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -69.81 167.32 17.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.361 -0.836 . . . . 15.0 112.117 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . 0.635 ' OD2' ' HA ' ' B' ' 5' ' ' PRO . 0.1 OUTLIER -89.32 169.26 13.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.135 -0.939 . . . . 15.0 109.77 179.607 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.635 ' HA ' ' OD2' ' B' ' 4' ' ' ASP . 6.1 Cg_endo -88.51 -82.32 0.0 OUTLIER 'Cis proline' 0 N--CA 1.459 -0.515 0 C-N-CA 124.414 -1.077 . . . . 15.0 112.814 -0.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -111.5 23.89 13.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.243 0.544 . . . . 15.0 110.342 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.59 53.76 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.82 -0.627 . . . . 15.0 110.191 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.476 ' HB3' ' CE2' ' B' ' 54' ' ' TYR . 36.5 mtt-85 -121.1 98.85 46.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.801 -0.636 . . . . 15.0 110.387 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.44 153.82 68.36 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.114 2.543 . . . . 15.0 113.191 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 49.2 mmt-85 -102.49 1.48 35.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.766 -0.652 . . . . 15.0 111.162 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -106.82 128.85 54.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.521 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.475 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 61.1 tp -54.01 -53.21 60.83 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.556 0.576 . . . . 15.0 112.556 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.9 Cg_endo -54.87 -42.71 66.3 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 122.005 1.803 . . . . 15.0 112.56 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.14 -36.45 72.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.684 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 tp -62.25 -41.28 98.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.488 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 54.3 m -62.52 -35.09 78.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.033 -0.53 . . . . 15.0 110.537 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -67.3 -37.18 82.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.919 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -69.6 -32.45 71.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.965 0.412 . . . . 15.0 110.753 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 67.0 mt -84.68 -0.16 52.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.575 . . . . 15.0 110.712 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 59.68 38.93 21.66 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.758 -0.656 . . . . 15.0 111.366 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 12.6 t -142.38 -173.1 3.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.307 -0.406 . . . . 15.0 110.297 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.0 p -109.95 169.76 8.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.937 0.398 . . . . 15.0 110.754 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.1 mt -66.32 -15.7 19.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.537 0.684 . . . . 15.0 110.444 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.41 ' HA ' ' HD2' ' B' ' 39' ' ' ARG . 14.8 m170 -88.8 -4.84 58.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.754 -0.657 . . . . 15.0 111.59 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -125.42 -31.57 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.094 0.405 . . . . 15.0 112.094 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 15.8 tt -47.2 130.26 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.815 0.672 . . . . 15.0 112.815 -178.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mm -85.07 125.52 40.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.668 -0.696 . . . . 15.0 109.441 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 tp -136.78 135.95 38.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.71 0.29 . . . . 15.0 110.641 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.64 161.76 17.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.89 -0.595 . . . . 15.0 109.939 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . 0.539 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 42.4 t -78.23 143.75 36.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.73 0.3 . . . . 15.0 110.257 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.2 p -80.31 -22.5 11.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.26 -0.427 . . . . 15.0 111.291 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -105.69 -46.81 4.06 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.945 -0.302 . . . . 15.0 111.408 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . 0.41 ' SG ' ' NZ ' ' B' ' 65' ' ' LYS . 11.4 m -83.11 -23.19 33.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.486 -0.324 . . . . 15.0 110.78 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 0.1 OUTLIER 61.2 24.5 14.6 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.62 -0.718 . . . . 15.0 112.132 179.43 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -105.39 168.67 8.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 15.0 109.869 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -70.34 131.61 44.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.671 0.272 . . . . 15.0 110.613 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.79 136.95 36.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.638 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.464 ' O ' HG21 ' B' ' 42' ' ' VAL . 61.4 mt -67.49 143.87 55.97 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.423 -0.584 . . . . 15.0 109.423 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.41 ' HD2' ' HA ' ' B' ' 24' ' ' HIS . 15.7 tpp180 -56.15 -36.41 68.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.61 -0.268 . . . . 15.0 111.164 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.434 ' HD3' ' CG ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -64.36 -38.03 89.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.843 179.545 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.89 -33.5 73.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.114 0.483 . . . . 15.0 110.104 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.464 HG21 ' O ' ' B' ' 38' ' ' LEU . 35.4 t -62.66 -34.33 64.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.953 -0.567 . . . . 15.0 109.622 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.64 -41.86 99.27 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.794 -0.639 . . . . 15.0 110.033 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.49 -39.59 88.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 15.0 110.045 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.12 -33.32 74.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.253 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.23 -15.58 43.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.935 -0.575 . . . . 15.0 110.912 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -84.83 -55.67 3.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.202 -0.453 . . . . 15.0 109.964 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -84.89 130.79 34.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.55 -0.537 . . . . 15.0 109.55 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -68.07 94.64 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.185 0.517 . . . . 15.0 111.372 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 43.4 mt -118.07 -173.39 2.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.604 -0.725 . . . . 15.0 110.171 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 5.1 m -127.37 144.45 51.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.453 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . 0.469 HG23 ' O ' ' B' ' 60' ' ' TYR . 51.5 mt -82.03 127.87 39.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.956 -0.566 . . . . 15.0 110.569 179.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.6 t -93.29 121.64 44.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.476 ' CE2' ' HB3' ' B' ' 8' ' ' ARG . 6.9 m-85 -93.68 125.88 38.54 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.096 0.474 . . . . 15.0 111.466 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -104.55 105.31 15.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.282 179.364 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 1.8 m-20 74.59 -44.43 0.55 Allowed 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.881 0.738 . . . . 15.0 111.599 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.01 -10.48 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.932 -0.576 . . . . 15.0 111.874 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -91.91 134.04 29.55 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 110.059 -0.349 . . . . 15.0 110.059 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -67.15 104.06 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.865 2.376 . . . . 15.0 112.956 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . 0.469 ' O ' HG23 ' B' ' 52' ' ' ILE . 7.2 m-30 -113.47 160.85 18.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.172 -0.467 . . . . 15.0 109.827 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.63 -163.8 1.3 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.941 0.401 . . . . 15.0 110.844 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' B' ' 66' ' ' CYS . 11.4 t -121.4 124.88 72.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.927 -0.579 . . . . 15.0 110.001 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 27.4 p -80.77 173.11 12.93 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.11 -0.33 . . . . 15.0 110.11 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.465 ' CG ' ' HZ2' ' B' ' 68' ' ' LYS . 0.5 OUTLIER -51.2 -36.64 42.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.029 -0.532 . . . . 15.0 112.348 -179.493 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.41 ' NZ ' ' SG ' ' B' ' 33' ' ' CYS . 4.8 mttp -60.99 -60.74 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.939 0.348 . . . . 15.0 111.939 -178.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . 0.41 ' HB2' HG13 ' B' ' 62' ' ' VAL . 0.0 OUTLIER -74.49 -23.23 58.82 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.994 0.368 . . . . 15.0 111.994 -178.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.14 -47.94 74.37 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.16 0.43 . . . . 15.0 112.16 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.465 ' HZ2' ' CG ' ' B' ' 64' ' ' ASP . 16.2 pttt -79.37 -29.55 42.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.011 0.374 . . . . 15.0 112.011 -178.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -77.09 -46.88 22.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 15.0 111.88 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.795 -0.621 . . . . 15.0 110.705 -178.519 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ptm . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 110.137 -0.32 . . . . 15.0 110.137 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.439 ' CZ ' ' HG2' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -157.68 109.91 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.114 0.483 . . . . 15.0 109.934 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.4 ' HB2' ' H ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -144.46 -159.07 0.95 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.517 -0.765 . . . . 15.0 109.928 -179.749 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.4 ' H ' ' HB2' ' A' ' 3' ' ' GLN . 16.3 t70 -42.76 140.0 1.93 Allowed Pre-proline 0 N--CA 1.469 0.479 0 O-C-N 123.885 0.741 . . . . 15.0 111.861 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -81.2 -6.14 44.88 Favored 'Cis proline' 0 C--N 1.348 0.528 0 C-N-CA 124.082 -1.216 . . . . 15.0 113.296 0.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 2' ' ' PHE . 2.0 mp0 -62.7 140.49 58.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.344 -0.389 . . . . 15.0 110.263 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.466 ' HA ' ' OE1' ' A' ' 7' ' ' GLU . 4.2 tp10 -106.25 -15.23 14.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.861 0.319 . . . . 15.0 111.861 -178.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' A' ' 2' ' ' PHE . 6.5 mtm180 66.55 84.74 0.17 Allowed Pre-proline 0 N--CA 1.465 0.304 0 CA-C-O 121.196 0.522 . . . . 15.0 111.108 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.2 171.15 14.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 15.0 112.434 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -100.46 9.45 42.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 15.0 111.388 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -120.66 130.88 54.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.106 -0.497 . . . . 15.0 109.876 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.51 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.8 tp -53.19 -50.57 81.65 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 113.467 0.914 . . . . 15.0 113.467 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.6 Cg_endo -54.39 -35.79 85.55 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.29 1.993 . . . . 15.0 113.538 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -83.0 -29.69 28.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.577 0.227 . . . . 15.0 111.07 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.6 tp -65.46 -38.4 89.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.036 0.446 . . . . 15.0 110.03 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.9 m -62.1 -36.98 83.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.778 -0.647 . . . . 15.0 110.321 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -38.62 88.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 15.0 110.661 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -68.59 -32.81 72.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.185 0.517 . . . . 15.0 110.129 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.2 2.02 29.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.656 -0.702 . . . . 15.0 110.807 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 56.3 42.01 28.4 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.968 -0.56 . . . . 15.0 110.794 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -150.59 -173.74 4.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.99 -0.55 . . . . 15.0 110.72 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 p -112.14 173.01 6.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.697 0.284 . . . . 15.0 111.25 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -28.53 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 121.12 0.486 . . . . 15.0 110.666 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.49 49.17 1.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.859 -0.61 . . . . 15.0 109.485 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -168.39 -39.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.963 -178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 tt -63.91 128.1 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 115.795 -0.638 . . . . 15.0 111.247 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.0 mm -117.12 114.42 45.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.05 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -119.52 154.55 33.65 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.804 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -112.76 164.04 13.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.766 0.317 . . . . 15.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 52.5 t -70.19 144.34 51.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.82 -0.627 . . . . 15.0 111.019 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.3 p -76.8 -25.55 15.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.834 -0.621 . . . . 15.0 111.175 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -102.24 -50.17 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.645 0.259 . . . . 15.0 111.674 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 m -80.23 -21.96 42.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.444 -0.344 . . . . 15.0 111.465 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 6.4 mptt 59.98 30.76 20.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.936 -0.574 . . . . 15.0 110.82 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -104.46 141.55 36.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.648 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -70.25 126.65 30.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.703 0.287 . . . . 15.0 110.72 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 mp -76.69 149.12 36.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.802 -0.635 . . . . 15.0 111.295 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.429 ' HG ' ' H ' ' A' ' 39' ' ' ARG . 12.1 tp -97.1 167.87 10.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.605 -0.725 . . . . 15.0 110.149 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.429 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 41.2 ttt180 -53.8 -30.09 43.41 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.905 0.482 . . . . 15.0 112.212 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -63.87 -53.96 42.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.608 0.242 . . . . 15.0 111.554 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 1.4 pm0 -72.38 -30.33 64.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.497 -0.319 . . . . 15.0 111.169 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 38' ' ' LEU . 56.1 t -62.63 -39.1 83.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 109.75 -0.463 . . . . 15.0 109.75 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -72.22 -36.25 69.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 15.0 109.93 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -35.42 78.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.325 0.583 . . . . 15.0 109.883 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -66.99 -38.63 86.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.117 -0.947 . . . . 15.0 111.022 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.65 -21.66 30.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.771 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -71.84 -24.87 61.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.956 0.408 . . . . 15.0 110.597 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -116.7 169.7 9.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.396 -0.594 . . . . 15.0 109.396 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -91.24 89.59 7.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.098 0.475 . . . . 15.0 110.811 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.78 172.85 6.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.648 -0.706 . . . . 15.0 109.681 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.1 m -126.31 150.47 48.46 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.42 -0.215 . . . . 15.0 110.42 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.7 mt -80.75 132.15 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.922 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.24 114.93 34.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.96 -0.564 . . . . 15.0 110.33 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -96.65 111.65 23.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.33 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -92.04 108.91 20.28 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.599 -0.889 . . . . 15.0 108.599 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t70 72.43 -70.74 0.15 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.892 0.745 . . . . 15.0 110.911 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.0 22.97 0.19 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.019 -0.61 . . . . 15.0 111.906 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -125.96 133.82 25.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.414 -0.217 . . . . 15.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.21 119.86 6.25 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.503 2.135 . . . . 15.0 112.783 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -119.84 155.03 33.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 15.0 110.0 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.31 174.91 5.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.028 0.442 . . . . 15.0 111.144 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.6 t -101.32 122.06 52.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.608 -0.724 . . . . 15.0 109.315 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.3 p -79.58 -174.88 4.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.392 0.615 . . . . 15.0 111.676 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.79 -27.23 66.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.941 -1.027 . . . . 15.0 111.192 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 21.5 mtpt -82.49 -51.14 8.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.049 0.452 . . . . 15.0 111.12 -179.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.3 m -67.66 -19.48 65.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.002 -0.544 . . . . 15.0 111.327 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.91 -43.15 69.47 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.256 -0.429 . . . . 15.0 111.825 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 12.6 pttt -79.25 -19.17 51.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 15.0 111.198 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -76.19 -49.95 15.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.103 0.478 . . . . 15.0 110.795 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 . . . . . 0 C--O 1.245 0.819 0 CA-C-O 118.613 -0.708 . . . . 15.0 110.24 -179.492 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 109.923 -0.399 . . . . 15.0 109.923 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.23 88.31 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.262 0.554 . . . . 15.0 110.434 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.531 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 0.9 OUTLIER -108.9 -169.65 1.53 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.55 -0.75 . . . . 15.0 109.82 179.648 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -60.91 155.71 51.72 Favored Pre-proline 0 N--CA 1.468 0.46 0 O-C-N 123.04 0.213 . . . . 15.0 111.03 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.91 -1.02 17.27 Favored 'Cis proline' 0 C--N 1.353 0.765 0 C-N-CA 124.005 -1.248 . . . . 15.0 113.477 1.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' B' ' 3' ' ' GLN . 1.8 mp0 -64.34 129.13 38.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.294 -0.632 . . . . 15.0 109.294 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -96.25 -7.9 34.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.451 -0.341 . . . . 15.0 110.833 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.513 ' HB3' ' CZ ' ' B' ' 54' ' ' TYR . 0.6 OUTLIER 67.62 79.96 0.22 Allowed Pre-proline 0 C--N 1.332 -0.187 0 O-C-N 123.678 0.611 . . . . 15.0 110.972 179.166 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.544 ' HD3' ' OE1' ' B' ' 18' ' ' GLU . 21.2 Cg_exo -65.68 141.03 64.53 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.397 2.065 . . . . 15.0 111.656 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -85.14 13.99 5.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.03 0.443 . . . . 15.0 110.69 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -129.28 134.16 47.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 15.0 109.852 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.479 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 28.3 tp -55.14 -52.55 70.32 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 113.557 0.947 . . . . 15.0 113.557 -178.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.3 Cg_endo -53.67 -34.31 73.31 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.237 1.958 . . . . 15.0 112.862 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.34 -34.77 25.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.37 -0.377 . . . . 15.0 110.984 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.82 -37.75 85.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.322 -0.399 . . . . 15.0 110.624 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 45.3 m -62.63 -28.59 70.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.8 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -71.79 -42.19 67.41 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.702 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.544 ' OE1' ' HD3' ' B' ' 9' ' ' PRO . 3.5 mt-10 -66.73 -39.42 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.106 0.479 . . . . 15.0 110.398 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -77.27 -7.53 56.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.848 -0.614 . . . . 15.0 110.473 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 56.69 56.32 5.61 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.632 -0.713 . . . . 15.0 111.344 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.8 t -156.83 -171.11 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.783 -0.644 . . . . 15.0 109.339 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -115.55 174.91 5.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.728 0.299 . . . . 15.0 111.192 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.7 pt -73.9 4.65 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.67 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -104.15 -24.7 13.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.038 0.446 . . . . 15.0 110.246 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -107.12 -22.3 12.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.784 -0.644 . . . . 15.0 111.284 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 tt -65.54 131.54 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.447 0.642 . . . . 15.0 110.993 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 27.7 mm -121.93 121.82 65.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.782 -0.645 . . . . 15.0 110.224 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -125.76 160.12 30.6 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.624 -0.51 . . . . 15.0 109.624 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -122.22 155.63 35.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.53 0.205 . . . . 15.0 110.533 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . 0.732 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 45.1 t -68.18 145.16 54.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.097 -0.501 . . . . 15.0 110.933 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 6.7 p -76.92 -32.25 19.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.308 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -85.15 -71.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.122 0.416 . . . . 15.0 112.122 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 p -76.58 -16.1 59.68 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.585 0.231 . . . . 15.0 111.331 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.732 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 32.9 mttp 62.56 35.23 14.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.496 0.665 . . . . 15.0 111.385 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -91.99 146.8 23.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.813 -0.63 . . . . 15.0 109.721 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -72.97 122.41 21.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.713 0.292 . . . . 15.0 110.766 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -81.01 126.14 31.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.097 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.452 ' HG ' ' H ' ' B' ' 39' ' ' ARG . 13.7 tp -89.52 171.34 9.78 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.13 -0.486 . . . . 15.0 109.749 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.452 ' H ' ' HG ' ' B' ' 38' ' ' LEU . 1.8 ttt180 -48.44 -33.9 10.08 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 122.9 0.48 . . . . 15.0 111.518 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -59.67 -42.15 92.24 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.789 -0.641 . . . . 15.0 111.211 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.85 -35.07 26.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.65 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 38' ' ' LEU . 96.0 t -58.16 -42.18 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.073 0.463 . . . . 15.0 110.617 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -70.2 -38.78 75.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.647 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.88 -37.99 89.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.346 0.593 . . . . 15.0 109.884 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -64.22 -39.5 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.346 -0.843 . . . . 15.0 110.725 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.49 -12.86 57.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 15.0 111.739 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -69.49 -29.3 66.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.371 -0.377 . . . . 15.0 110.976 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -117.44 173.94 6.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.161 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -88.1 89.81 8.14 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.983 -0.747 . . . . 15.0 108.983 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.67 167.1 10.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.103 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 19.8 p -119.04 139.91 50.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.933 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . 0.431 HG21 ' O ' ' B' ' 60' ' ' TYR . 19.4 mt -83.97 125.1 40.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.972 0.415 . . . . 15.0 110.657 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -93.03 136.53 24.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.657 -0.701 . . . . 15.0 110.216 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 53.9 m-85 -110.64 111.51 22.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.113 0.482 . . . . 15.0 111.79 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -94.8 122.44 37.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.617 -0.719 . . . . 15.0 109.126 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 18.3 t70 70.48 -70.64 0.15 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.046 0.841 . . . . 15.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.78 27.24 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.443 -0.663 . . . . 15.0 111.443 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -130.58 144.11 52.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 109.8 -0.445 . . . . 15.0 109.8 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.51 121.06 9.02 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.627 2.218 . . . . 15.0 112.551 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' TYR . . . . . 0.431 ' O ' HG21 ' B' ' 52' ' ' ILE . 29.2 m-85 -124.41 156.28 37.4 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.412 -0.588 . . . . 15.0 109.412 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.538 ' O ' ' HA ' ' B' ' 30' ' ' CYS . . . -128.98 -177.16 4.1 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.813 0.34 . . . . 15.0 110.513 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.42 115.86 50.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.58 -0.896 . . . . 15.0 108.58 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 6.7 p -72.04 169.51 15.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.963 0.411 . . . . 15.0 111.316 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' B' ' 67' ' ' LEU . 30.3 t70 -57.58 -23.46 50.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.691 -0.686 . . . . 15.0 111.631 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -55.04 5.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.811 -0.631 . . . . 15.0 111.146 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' B' ' 69' ' ' PHE . 24.6 m -74.7 -17.32 60.68 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.045 0.758 . . . . 15.0 113.045 -179.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' B' ' 64' ' ' ASP . 10.1 mt -53.62 -37.8 63.4 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.498 0.555 . . . . 15.0 112.498 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -11.68 59.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.33 . . . . 15.0 111.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' PHE . . . . . 0.428 ' HB2' ' O ' ' B' ' 66' ' ' CYS . 3.8 m-85 -75.34 -49.72 18.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.419 -0.355 . . . . 15.0 111.126 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.815 -179.105 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.454 ' HD3' ' OE1' ' A' ' 18' ' ' GLU . 37.2 Cg_exo . . . . . 0 N--CA 1.463 -0.296 0 CA-C-O 121.473 0.53 . . . . 15.0 112.91 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -95.33 1.69 54.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.366 -0.834 . . . . 15.0 109.894 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 28.9 mmtp -117.91 139.56 50.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.674 -0.694 . . . . 15.0 110.742 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.455 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 25.2 tp -54.7 -54.38 49.83 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 112.863 0.69 . . . . 15.0 112.863 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 12.3 Cg_endo -56.02 -44.54 46.06 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.05 1.833 . . . . 15.0 112.638 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -68.79 -33.92 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 15.0 111.126 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.4 tp -60.66 -38.28 84.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.193 0.521 . . . . 15.0 109.695 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.0 m -70.15 -33.27 71.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.455 -0.793 . . . . 15.0 110.359 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -64.68 -47.5 78.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.288 -0.415 . . . . 15.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.454 ' OE1' ' HD3' ' A' ' 9' ' ' PRO . 8.7 mt-10 -68.79 -31.46 70.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.412 -0.358 . . . . 15.0 110.99 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.23 -2.26 44.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 15.0 110.723 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 58.44 44.27 18.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.913 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.4 t -145.65 -174.41 4.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -111.95 166.56 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.447 -0.342 . . . . 15.0 110.469 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.415 ' HA ' HG22 ' A' ' 26' ' ' ILE . 18.1 mt -70.4 -13.8 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 15.0 110.093 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -87.22 -13.42 43.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 15.0 111.023 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -108.84 -38.39 5.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.857 0.317 . . . . 15.0 111.857 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.415 HG22 ' HA ' ' A' ' 23' ' ' ILE . 15.5 tt -66.63 126.05 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.357 0.599 . . . . 15.0 111.363 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.0 mm -113.42 122.03 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.991 -0.549 . . . . 15.0 109.657 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -102.35 159.95 14.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.756 0.312 . . . . 15.0 110.454 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -113.7 156.57 23.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.203 -0.453 . . . . 15.0 109.981 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 53.9 t -72.34 144.8 48.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.209 0.528 . . . . 15.0 110.625 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 p -82.18 -23.93 9.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.867 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -95.25 -61.33 1.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.627 0.603 . . . . 15.0 112.627 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.461 ' HG ' ' HG ' ' A' ' 66' ' ' CYS . 0.8 OUTLIER -90.43 -10.51 43.53 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.801 -0.359 . . . . 15.0 111.656 -179.119 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 5.1 mptt 61.78 32.7 18.13 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.006 -0.543 . . . . 15.0 111.606 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.446 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 34.7 mm-40 -89.35 152.55 21.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.627 -0.508 . . . . 15.0 109.627 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -76.52 125.24 28.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.045 -0.354 . . . . 15.0 110.045 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mp -82.34 120.48 25.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.751 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -61.07 134.85 57.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.221 -0.659 . . . . 15.0 109.221 178.607 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -48.09 -39.04 19.08 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.405 0.44 . . . . 15.0 112.071 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -58.8 -39.99 82.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.05 0.452 . . . . 15.0 111.202 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -83.48 -22.4 32.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.845 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 38' ' ' LEU . 69.9 t -61.69 -33.67 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.142 0.496 . . . . 15.0 110.086 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -64.4 -23.65 67.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -67.01 -23.7 65.95 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.968 0.413 . . . . 15.0 110.194 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.77 -39.79 95.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.701 -0.682 . . . . 15.0 109.872 178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.85 -28.94 24.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.346 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -67.23 -43.43 82.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.628 -0.715 . . . . 15.0 110.338 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -103.07 -173.95 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.043 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -95.82 95.61 8.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 15.0 110.546 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.31 142.1 33.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.405 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.6 p -108.59 156.86 19.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.108 -0.496 . . . . 15.0 109.891 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.4 mt -79.45 122.85 35.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.043 0.449 . . . . 15.0 110.256 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.1 t -91.07 120.29 39.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.623 -0.717 . . . . 15.0 109.983 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.04 109.11 20.88 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.945 0.402 . . . . 15.0 110.298 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.408 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 4.3 tmm_? -92.69 114.28 26.79 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.237 -0.653 . . . . 15.0 109.237 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.2 t70 70.99 -68.02 0.23 Allowed 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.989 0.806 . . . . 15.0 111.05 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.8 23.12 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.234 -0.507 . . . . 15.0 112.307 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -132.46 147.68 66.61 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.193 -0.299 . . . . 15.0 110.193 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -75.1 118.51 5.27 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.544 2.163 . . . . 15.0 112.738 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CE1' ' HB3' ' A' ' 55' ' ' ARG . 67.6 m-85 -120.55 164.74 16.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.843 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -127.37 170.36 12.6 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.388 -0.369 . . . . 15.0 110.43 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.6 t -101.99 119.29 50.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.137 -0.69 . . . . 15.0 109.137 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 22.9 p -73.09 171.38 13.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.153 0.502 . . . . 15.0 111.385 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.15 -23.13 67.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.524 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.92 -57.89 3.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.686 -0.688 . . . . 15.0 110.548 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.461 ' HG ' ' HG ' ' A' ' 33' ' ' CYS . 34.9 m -73.27 -15.39 61.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.587 -0.733 . . . . 15.0 112.738 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 112.486 0.551 . . . . 15.0 112.486 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 . . . . . 0 C--O 1.234 0.24 0 N-CA-C 111.593 0.22 . . . . 15.0 111.593 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.464 ' HD3' ' OE1' ' B' ' 18' ' ' GLU . 59.4 Cg_endo -74.84 176.0 10.43 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.546 2.164 . . . . 15.0 111.925 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -99.89 2.34 43.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.9 0.381 . . . . 15.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 49.8 mttm -108.85 127.82 54.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.201 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.521 ' HA ' HD11 ' B' ' 52' ' ' ILE . 32.8 tp -54.38 -52.63 67.57 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 113.286 0.847 . . . . 15.0 113.286 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 8.8 Cg_endo -51.52 -45.25 38.82 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.249 1.966 . . . . 15.0 112.756 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -68.89 -37.41 79.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.999 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.52 -37.72 87.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.973 0.416 . . . . 15.0 110.174 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m -64.03 -42.74 97.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.061 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.6 m -64.51 -38.75 92.1 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.09 -0.505 . . . . 15.0 110.67 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.464 ' OE1' ' HD3' ' B' ' 9' ' ' PRO . 23.2 tt0 -69.19 -37.64 78.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.505 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.48 ' HB3' HG22 ' B' ' 21' ' ' THR . 0.5 OUTLIER -78.08 -3.51 42.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.704 179.597 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 60.97 41.18 14.46 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.713 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.48 HG22 ' HB3' ' B' ' 19' ' ' LEU . 14.0 t -142.51 -173.63 3.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.779 -0.646 . . . . 15.0 109.977 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 58.2 p -111.96 169.79 8.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.778 0.323 . . . . 15.0 110.915 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 12.6 mt -69.62 -17.35 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.329 0.585 . . . . 15.0 110.364 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -82.53 -29.23 30.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.718 -0.674 . . . . 15.0 110.826 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -98.0 -25.32 15.01 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.706 0.632 . . . . 15.0 112.706 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.6 tt -61.05 138.11 22.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.313 0.578 . . . . 15.0 111.169 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mm -110.23 120.99 62.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.353 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.542 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.1 mp -119.4 148.23 43.46 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -114.98 151.79 33.53 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.324 -0.25 . . . . 15.0 110.324 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 50.7 t -76.61 138.34 40.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.09 0.471 . . . . 15.0 111.145 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' B' ' 60' ' ' TYR . 11.6 p -75.45 -18.86 15.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.689 -0.687 . . . . 15.0 110.54 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -104.49 -60.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.281 -0.418 . . . . 15.0 111.393 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -67.89 -24.41 65.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.429 -0.35 . . . . 15.0 111.284 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm 67.15 10.47 7.73 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.211 0.604 . . . . 15.0 111.189 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -98.04 170.94 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.709 -0.478 . . . . 15.0 109.709 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -84.93 131.01 34.55 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.86 0.362 . . . . 15.0 110.23 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mp -68.71 144.79 54.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.685 -0.689 . . . . 15.0 111.465 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.404 ' O ' HG23 ' B' ' 42' ' ' VAL . 15.4 mt -75.87 158.35 32.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.478 -0.783 . . . . 15.0 109.525 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -56.36 -37.34 69.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.991 0.424 . . . . 15.0 110.66 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -68.83 -34.92 76.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.778 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -70.88 -37.11 73.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.744 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 38' ' ' LEU . 59.8 t -64.17 -36.04 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.066 0.46 . . . . 15.0 109.827 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -65.77 -38.59 89.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.372 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -66.44 -42.15 88.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.847 -0.615 . . . . 15.0 109.885 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.59 -36.52 78.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.679 -0.691 . . . . 15.0 110.862 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.467 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -81.04 -17.94 48.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 15.0 111.238 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -84.25 -32.53 24.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.026 0.441 . . . . 15.0 110.289 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -86.52 160.1 19.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.021 -0.536 . . . . 15.0 110.264 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -83.74 45.88 1.11 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.866 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.96 162.15 13.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.58 . . . . 15.0 110.976 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 37.5 m -119.9 161.99 19.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.749 -0.66 . . . . 15.0 109.415 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.521 HD11 ' HA ' ' B' ' 12' ' ' LEU . 39.4 mt -80.12 126.21 39.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.825 0.345 . . . . 15.0 110.874 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.25 119.91 39.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.366 0.603 . . . . 15.0 109.938 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -93.72 110.51 22.14 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.694 -0.685 . . . . 15.0 110.246 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.474 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 3.3 mmm180 -122.77 130.61 53.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.071 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 9.5 t70 73.72 -26.67 0.19 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.727 0.642 . . . . 15.0 111.408 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' B' ' 55' ' ' ARG . . . 131.53 -6.99 5.59 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 111.627 -0.589 . . . . 15.0 111.627 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -103.34 137.09 19.16 Favored Pre-proline 0 C--N 1.32 -0.699 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.96 97.1 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.294 1.996 . . . . 15.0 111.576 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' TYR . . . . . 0.426 ' HB3' ' HB ' ' B' ' 31' ' ' VAL . 40.5 m-85 -96.33 156.62 16.26 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.066 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.542 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -130.94 -175.88 3.82 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.617 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.1 t -124.01 116.56 48.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.114 -0.698 . . . . 15.0 109.114 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.53 169.85 17.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.645 0.26 . . . . 15.0 110.743 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.77 -26.78 58.32 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.136 -0.484 . . . . 15.0 111.522 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 2.0 mppt? -62.86 -57.87 9.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.989 -0.55 . . . . 15.0 110.902 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -31.06 61.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.978 0.418 . . . . 15.0 111.123 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.8 mt -57.99 -34.68 70.24 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 112.892 0.701 . . . . 15.0 112.892 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 52.1 pttt -73.09 -20.95 60.85 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.678 -0.409 . . . . 15.0 111.635 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -77.72 -26.35 49.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.717 0.294 . . . . 15.0 111.388 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.669 -0.682 . . . . 15.0 111.003 -178.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo . . . . . 0 N--CA 1.465 -0.205 0 CA-C-O 121.049 0.354 . . . . 15.0 112.083 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -96.34 14.42 24.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.667 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -119.24 128.75 54.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 15.0 110.512 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.52 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 44.0 tp -54.1 -51.06 80.71 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 113.361 0.874 . . . . 15.0 113.361 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.6 Cg_endo -54.07 -34.97 79.99 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.134 1.889 . . . . 15.0 113.092 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -83.27 -30.41 27.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 15.0 110.957 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.42 HD22 HD13 ' A' ' 52' ' ' ILE . 41.6 tp -64.92 -34.1 77.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 15.0 110.575 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.1 m -56.65 -35.92 68.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.686 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -33.99 75.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.912 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -67.18 -42.26 84.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.054 0.454 . . . . 15.0 110.313 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mp -81.92 -4.64 57.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.898 -0.592 . . . . 15.0 111.575 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 59.79 51.07 6.4 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.184 0.516 . . . . 15.0 110.275 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.496 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 14.6 t -152.06 179.64 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.835 -0.621 . . . . 15.0 110.273 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.9 p -106.13 175.68 5.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.716 0.293 . . . . 15.0 110.508 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mt -73.16 -9.8 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.421 0.629 . . . . 15.0 110.614 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -99.11 -2.88 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.598 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.496 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 11.5 t70 -132.6 -1.6 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.458 -0.337 . . . . 15.0 111.754 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 tt -75.72 111.38 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.648 0.737 . . . . 15.0 111.022 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.7 mm -89.65 90.58 3.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.654 -0.703 . . . . 15.0 110.137 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.662 HD23 ' HB2' ' A' ' 61' ' ' ALA . 5.0 tp -101.92 143.44 31.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.146 -0.479 . . . . 15.0 109.972 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -105.92 155.16 19.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.375 -0.375 . . . . 15.0 111.119 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 28.9 t -70.27 143.94 51.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.865 -0.607 . . . . 15.0 111.238 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.16 -34.02 67.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.782 -0.645 . . . . 15.0 111.944 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.619 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 41.3 m-85 -105.71 -48.37 3.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.411 0.523 . . . . 15.0 112.411 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' HB2' ' HG2' ' A' ' 35' ' ' GLN . 3.3 m -75.59 -26.38 57.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.698 0.285 . . . . 15.0 110.856 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 54.2 mttp 63.01 21.08 12.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.649 -0.705 . . . . 15.0 111.005 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.418 ' HG2' ' HB2' ' A' ' 33' ' ' CYS . 3.9 pt20 -91.17 150.79 21.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.191 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -72.94 121.33 19.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.164 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.78 136.69 45.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.783 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 42' ' ' VAL . 21.2 mt -77.27 158.66 30.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.622 -0.51 . . . . 15.0 109.622 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -59.12 -18.35 34.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.047 -0.524 . . . . 15.0 112.176 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.523 ' HB3' ' OE2' ' A' ' 41' ' ' GLU . 9.8 ttp180 -72.17 -51.52 20.87 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.956 0.408 . . . . 15.0 110.361 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.523 ' OE2' ' HB3' ' A' ' 40' ' ' ARG . 1.1 pm0 -68.98 -33.38 73.59 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 38' ' ' LEU . 79.9 t -62.64 -37.92 80.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 15.0 110.179 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -62.65 -43.03 99.84 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.281 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.92 -35.57 81.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.249 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -69.43 -33.49 73.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.721 -0.672 . . . . 15.0 110.633 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.41 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -80.05 -32.24 39.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.941 0.401 . . . . 15.0 111.281 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -73.14 -52.41 14.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.657 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -81.51 135.66 35.6 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.604 -0.517 . . . . 15.0 109.604 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -74.94 97.39 3.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.203 0.525 . . . . 15.0 110.513 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.7 mt -115.83 -175.46 2.73 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.617 -0.719 . . . . 15.0 109.634 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.94 135.22 54.41 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.416 -0.356 . . . . 15.0 110.158 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.439 HD11 ' HA ' ' A' ' 12' ' ' LEU . 56.9 mt -80.35 127.17 39.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.197 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.2 m -92.14 119.06 38.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.217 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -93.68 109.08 20.74 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 110.04 -0.356 . . . . 15.0 110.04 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.48 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -83.43 105.13 14.12 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.637 -0.875 . . . . 15.0 108.637 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 20.6 t70 75.92 -46.94 0.56 Allowed 'General case' 0 N--CA 1.47 0.543 0 O-C-N 124.18 0.925 . . . . 15.0 110.666 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.58 -15.31 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 116.009 -0.542 . . . . 15.0 111.889 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -88.71 140.49 29.64 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 120.651 0.262 . . . . 15.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -70.99 109.44 2.55 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.521 2.147 . . . . 15.0 111.901 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -111.83 148.01 34.51 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.18 -0.464 . . . . 15.0 110.219 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.662 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -106.16 165.94 10.87 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.121 -0.491 . . . . 15.0 110.64 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -106.82 112.13 38.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.087 -0.708 . . . . 15.0 109.087 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.543 ' SG ' ' HB3' ' A' ' 65' ' ' LYS . 28.7 p -69.18 169.65 11.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.86 0.362 . . . . 15.0 110.461 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.35 -21.75 65.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.244 0.545 . . . . 15.0 110.342 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.543 ' HB3' ' SG ' ' A' ' 63' ' ' CYS . 0.3 OUTLIER -76.9 -57.47 3.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.208 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 85.2 m -69.73 -18.71 63.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.893 -0.594 . . . . 15.0 111.456 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 121.271 0.558 . . . . 15.0 110.493 178.73 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.548 0 CA-C-O 121.078 0.466 . . . . 15.0 111.633 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.9 -166.03 0.36 Allowed 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.878 2.385 . . . . 15.0 112.059 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -126.66 0.52 6.79 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 122.04 -0.412 . . . . 15.0 111.578 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -124.15 139.46 53.91 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.163 -0.31 . . . . 15.0 110.163 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 26.2 tp -52.19 -52.69 60.12 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 113.018 0.747 . . . . 15.0 113.018 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 7.7 Cg_endo -51.27 -34.08 47.83 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.683 2.255 . . . . 15.0 112.987 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -79.83 -31.45 40.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 15.0 110.98 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.407 HD22 HD13 ' B' ' 52' ' ' ILE . 57.8 tp -68.47 -38.33 80.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.85 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' CYS . . . . . 0.487 ' SG ' HG12 ' B' ' 23' ' ' ILE . 64.4 m -59.04 -39.88 83.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.289 -0.414 . . . . 15.0 110.767 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -35.33 80.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 15.0 111.153 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.51 -30.74 70.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.626 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -92.73 1.52 57.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.544 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 56.5 47.89 17.82 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.826 -0.625 . . . . 15.0 111.198 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 15.2 t -150.29 179.42 8.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.007 -0.542 . . . . 15.0 109.846 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 34.6 p -103.26 -179.69 4.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.814 0.34 . . . . 15.0 110.735 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.487 HG12 ' SG ' ' B' ' 16' ' ' CYS . 4.9 mt -81.17 -5.37 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.33 0.586 . . . . 15.0 110.568 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -83.79 -20.96 32.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.711 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -148.2 87.89 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.725 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.1 tt -139.01 140.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.987 -0.551 . . . . 15.0 110.285 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 39.0 mm -80.3 94.6 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.924 -0.398 . . . . 15.0 109.924 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -127.8 133.37 49.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.988 -0.551 . . . . 15.0 110.594 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -127.47 170.18 12.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.351 -0.386 . . . . 15.0 110.792 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 43.9 t -80.03 144.58 33.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.98 -0.554 . . . . 15.0 110.736 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 p -76.26 -27.86 17.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.622 -0.717 . . . . 15.0 111.856 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -106.77 -50.87 3.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.206 0.447 . . . . 15.0 112.206 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -76.84 -23.43 52.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.751 -0.204 . . . . 15.0 111.195 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.9 tptp 65.79 16.79 10.64 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.549 0.69 . . . . 15.0 110.539 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -86.57 136.89 32.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.69 -0.686 . . . . 15.0 109.948 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -69.35 124.52 24.08 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.25 -0.648 . . . . 15.0 109.25 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -70.97 139.44 50.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.202 0.525 . . . . 15.0 111.191 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.475 ' O ' HG23 ' B' ' 42' ' ' VAL . 13.1 mt -83.59 162.55 20.79 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.58 -0.896 . . . . 15.0 108.58 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -56.77 -32.44 65.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.733 0.302 . . . . 15.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -62.52 -36.98 84.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.992 -0.549 . . . . 15.0 110.663 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -82.7 -39.19 22.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.324 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 38' ' ' LEU . 60.0 t -64.71 -35.33 74.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.366 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -34.53 75.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.895 -0.593 . . . . 15.0 111.193 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -70.4 -39.81 74.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.194 0.521 . . . . 15.0 110.006 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -65.67 -33.37 75.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.519 -0.764 . . . . 15.0 110.662 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.456 ' HB2' HG21 ' B' ' 23' ' ' ILE . . . -77.21 -30.04 54.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.313 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -80.81 -54.15 5.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.09 -0.505 . . . . 15.0 110.746 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -88.19 119.6 28.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.193 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.03 105.88 0.26 Allowed 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.876 -0.602 . . . . 15.0 111.647 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.8 mt -132.48 160.38 36.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.669 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.79 139.6 33.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.993 0.425 . . . . 15.0 111.42 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.457 HD11 ' HA ' ' B' ' 12' ' ' LEU . 53.0 mt -81.88 135.9 24.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.727 -0.669 . . . . 15.0 110.203 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 39.8 t -100.45 114.0 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.24 -0.437 . . . . 15.0 109.932 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -99.3 110.38 22.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.795 0.331 . . . . 15.0 110.99 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -89.07 108.43 19.59 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.116 -0.698 . . . . 15.0 109.116 179.388 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 9.7 m-20 73.52 -72.2 0.12 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 124.105 0.878 . . . . 15.0 110.282 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.37 21.51 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.166 -0.54 . . . . 15.0 111.914 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.548 ' HB3' ' CE2' ' B' ' 60' ' ' TYR . 23.3 t30 -117.27 136.0 23.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.2 -0.296 . . . . 15.0 110.2 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 7.0 Cg_exo -72.71 117.52 5.16 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.784 2.323 . . . . 15.0 112.996 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' B' ' 58' ' ' ASN . 65.6 m-85 -127.92 145.31 51.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.141 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.61 176.31 5.17 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.115 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 14.8 t -96.93 112.1 28.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.83 -0.804 . . . . 15.0 108.83 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' B' ' 65' ' ' LYS . 29.2 p -72.23 171.55 11.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.084 0.469 . . . . 15.0 111.142 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -61.22 -26.63 67.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.462 -0.79 . . . . 15.0 110.177 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.435 ' HB2' ' SG ' ' B' ' 63' ' ' CYS . 4.8 mtpm? -73.11 -52.55 13.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.872 -0.604 . . . . 15.0 110.223 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 72.8 m -66.81 -32.43 73.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 15.0 111.025 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.0 -30.98 72.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.249 0.547 . . . . 15.0 109.898 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -80.68 -23.95 39.25 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.487 -0.779 . . . . 15.0 110.185 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -77.34 -49.34 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 15.0 111.18 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.588 -0.72 . . . . 15.0 110.995 -178.659 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo . . . . . 0 CA--C 1.532 0.412 0 CA-C-O 120.773 0.239 . . . . 15.0 111.897 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -122.33 -46.01 2.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.851 0.315 . . . . 15.0 111.851 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -106.9 163.9 12.57 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.174 0.511 . . . . 15.0 111.991 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.647 ' HA ' HD11 ' A' ' 52' ' ' ILE . 35.6 tp -60.4 -49.32 90.83 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.181 -0.918 . . . . 15.0 113.188 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.5 Cg_endo -50.79 -36.53 52.18 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.276 1.984 . . . . 15.0 112.413 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.594 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 9.0 mt-30 -73.12 -44.93 59.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.48 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.2 tp -57.54 -35.45 70.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.7 -0.682 . . . . 15.0 111.287 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.545 ' SG ' HG12 ' A' ' 23' ' ' ILE . 48.2 m -60.59 -41.14 94.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.039 0.447 . . . . 15.0 110.161 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.5 m -70.65 -40.64 72.91 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.988 -0.551 . . . . 15.0 110.755 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 17.6 mm-40 -62.85 -33.62 75.63 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.167 0.508 . . . . 15.0 110.083 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -85.9 0.22 53.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.683 -0.69 . . . . 15.0 110.982 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 58.33 46.79 14.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.068 -0.514 . . . . 15.0 111.222 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 t -151.74 -171.19 3.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.123 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -113.49 176.12 5.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.774 0.321 . . . . 15.0 110.511 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.545 HG12 ' SG ' ' A' ' 16' ' ' CYS . 4.4 mt -76.55 -3.7 5.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.313 0.578 . . . . 15.0 110.711 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -96.27 -19.43 19.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.225 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -128.95 20.25 5.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.102 0.477 . . . . 15.0 111.292 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 tt -82.59 131.91 32.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.255 0.55 . . . . 15.0 110.654 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -100.57 115.9 42.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.271 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tp -129.37 151.63 49.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.181 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -125.01 159.81 30.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.618 0.247 . . . . 15.0 110.523 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.4 t -72.25 143.99 48.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.102 0.477 . . . . 15.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -77.42 -23.4 14.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.698 -0.683 . . . . 15.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -107.12 -53.84 2.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.811 0.338 . . . . 15.0 111.901 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.6 m -78.44 -20.8 50.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.242 -0.435 . . . . 15.0 111.976 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 tptp 64.63 13.97 8.68 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.785 0.802 . . . . 15.0 109.981 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -79.07 141.8 37.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.437 -0.801 . . . . 15.0 109.964 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -72.31 119.0 15.89 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.915 -0.402 . . . . 15.0 109.915 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.439 ' HG ' ' HG3' ' A' ' 41' ' ' GLU . 7.5 mp -73.21 129.12 37.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.721 -0.672 . . . . 15.0 110.921 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.509 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 65.8 mt -82.46 170.16 15.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.974 -0.557 . . . . 15.0 109.977 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -61.58 -20.23 63.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.537 -0.301 . . . . 15.0 111.683 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HB3' ' OE1' ' A' ' 41' ' ' GLU . 6.8 ttp180 -67.21 -53.35 31.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.924 0.393 . . . . 15.0 110.347 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 1.2 pm0 -69.27 -29.84 67.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.435 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 38' ' ' LEU . 59.3 t -63.19 -42.8 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.2 -0.667 . . . . 15.0 109.2 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -68.65 -37.41 79.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.91 -0.586 . . . . 15.0 109.754 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -34.67 78.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.333 0.587 . . . . 15.0 109.696 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -69.69 -47.83 61.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.603 -0.726 . . . . 15.0 109.621 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.53 -19.53 65.31 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.861 -0.609 . . . . 15.0 111.471 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.23 -13.71 61.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.116 0.484 . . . . 15.0 110.656 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 61.1 mtt85 -126.28 -179.83 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.0 -0.545 . . . . 15.0 109.876 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.83 70.13 0.71 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.195 0.521 . . . . 15.0 110.277 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.26 159.87 14.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.562 -0.744 . . . . 15.0 110.62 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.9 p -99.97 146.91 26.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.08 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.647 HD11 ' HA ' ' A' ' 12' ' ' LEU . 76.0 mt -81.12 137.78 20.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.144 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 t -99.99 111.14 28.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.929 0.395 . . . . 15.0 110.088 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -96.8 109.05 21.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.385 -0.371 . . . . 15.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.4 114.37 28.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.066 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 71.3 -7.44 1.17 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.857 0.723 . . . . 15.0 111.964 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.79 -8.46 10.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.801 -0.714 . . . . 15.0 112.254 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.463 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 5.3 t30 -86.6 141.38 34.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.694 -0.484 . . . . 15.0 109.694 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 5.9 Cg_exo -75.2 96.48 1.03 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.558 2.172 . . . . 15.0 112.332 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -112.13 161.61 16.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.239 0.542 . . . . 15.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.56 -178.23 5.98 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.722 -0.672 . . . . 15.0 109.818 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 m -99.05 123.24 51.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.504 -0.554 . . . . 15.0 109.504 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.2 p -74.73 177.67 6.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.09 0.471 . . . . 15.0 110.613 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.19 -24.16 64.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.794 -0.639 . . . . 15.0 110.05 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -78.88 -57.68 3.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.348 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 84.1 m -56.9 -37.67 71.73 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.662 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.11 0.481 . . . . 15.0 111.129 179.341 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.464 0.253 0 CA-C-O 120.829 0.347 . . . . 15.0 111.285 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.61 177.32 8.87 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.509 2.139 . . . . 15.0 111.417 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -107.65 10.5 29.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.821 0.343 . . . . 15.0 110.93 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' B' ' 11' ' ' LYS . 69.3 mmtt -125.08 129.75 50.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 15.0 110.069 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 53.4 tp -52.05 -52.62 60.22 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 114.099 1.148 . . . . 15.0 114.099 -177.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 10.3 Cg_endo -52.46 -35.97 68.05 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.262 1.975 . . . . 15.0 112.951 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -79.94 -30.62 39.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.823 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.13 -35.53 79.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.117 0.484 . . . . 15.0 110.241 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' CYS . . . . . 0.44 ' SG ' HG12 ' B' ' 23' ' ' ILE . 57.4 m -61.15 -41.67 97.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.66 -0.7 . . . . 15.0 110.788 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -39.15 92.51 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.374 -0.375 . . . . 15.0 110.951 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.74 -40.84 92.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.743 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.5 -7.98 57.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.209 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 65.71 37.76 5.61 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.555 -0.748 . . . . 15.0 111.827 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -143.92 -174.05 4.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.297 -0.41 . . . . 15.0 110.209 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 49.0 p -114.7 172.74 6.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.949 0.404 . . . . 15.0 111.757 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.478 ' HA ' HG22 ' B' ' 26' ' ' ILE . 9.4 mt -71.68 -5.46 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.029 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -97.6 -2.86 40.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.174 -0.467 . . . . 15.0 110.804 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -128.14 -34.92 2.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.769 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.478 HG22 ' HA ' ' B' ' 23' ' ' ILE . 20.3 tt -62.71 127.14 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 121.355 0.598 . . . . 15.0 111.706 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 49.9 mm -114.49 121.15 66.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.551 . . . . 15.0 109.664 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 mp -112.96 160.68 17.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.311 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -110.07 156.47 20.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.645 -0.252 . . . . 15.0 110.506 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' CYS . . . . . 0.582 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 52.5 t -72.15 144.09 48.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.077 0.465 . . . . 15.0 109.898 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.7 p -80.14 -22.96 11.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.169 -0.469 . . . . 15.0 111.083 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.407 ' HB2' ' SG ' ' B' ' 66' ' ' CYS . 61.1 m-85 -106.44 -49.48 3.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.896 -0.322 . . . . 15.0 111.524 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 m -81.99 -22.69 36.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.916 0.389 . . . . 15.0 110.496 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.582 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 5.7 mptt 62.59 20.36 11.94 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.405 -0.816 . . . . 15.0 111.302 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -92.12 156.65 17.21 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.542 -0.54 . . . . 15.0 109.542 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -74.68 126.74 31.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.999 0.428 . . . . 15.0 111.163 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -85.01 129.58 34.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.407 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.527 ' O ' HG23 ' B' ' 42' ' ' VAL . 68.6 mt -76.96 156.81 31.69 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.347 -0.612 . . . . 15.0 109.347 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -52.43 -29.33 23.91 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.156 0.285 . . . . 15.0 111.177 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -59.78 -49.04 79.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.389 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.411 ' H ' ' HG2' ' B' ' 41' ' ' GLU . 0.0 OUTLIER -71.3 -32.23 68.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.126 0.489 . . . . 15.0 109.785 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 38' ' ' LEU . 48.4 t -64.97 -34.88 73.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.68 -0.691 . . . . 15.0 110.491 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -66.8 -37.16 84.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.151 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -67.39 -31.11 71.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 15.0 109.872 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -62.45 -34.9 77.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.621 -0.718 . . . . 15.0 109.847 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.09 -24.29 24.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.651 -0.704 . . . . 15.0 110.7 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -74.6 -42.2 59.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.477 -0.783 . . . . 15.0 110.689 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -100.26 162.8 12.73 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.02 -0.536 . . . . 15.0 109.755 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -81.85 104.44 12.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.943 0.401 . . . . 15.0 110.462 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.8 mt -134.5 170.57 15.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.808 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.06 152.88 46.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.749 -0.66 . . . . 15.0 109.65 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 53.8 mt -80.37 128.77 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.072 0.463 . . . . 15.0 110.621 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.51 131.91 40.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.689 -0.687 . . . . 15.0 109.33 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -111.44 115.34 29.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.225 0.536 . . . . 15.0 111.542 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 6.1 tmm_? -103.39 113.28 26.64 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.696 -0.853 . . . . 15.0 108.696 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 0.7 OUTLIER 70.94 -77.53 0.05 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.92 0.762 . . . . 15.0 110.675 -179.524 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.12 23.77 0.28 Allowed Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.676 -0.57 . . . . 15.0 111.676 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -126.2 138.68 32.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.38 0.133 . . . . 15.0 110.779 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -74.78 117.6 4.99 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.654 2.236 . . . . 15.0 111.757 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -115.24 171.38 7.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.206 -0.452 . . . . 15.0 110.115 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -128.64 -179.55 5.12 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.905 -0.589 . . . . 15.0 110.368 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 t -116.0 122.85 70.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.816 -0.629 . . . . 15.0 109.38 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 23.1 p -77.18 175.5 9.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.974 0.416 . . . . 15.0 111.112 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.03 -26.45 67.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.952 -0.567 . . . . 15.0 111.241 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -71.94 -59.08 2.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.013 -0.54 . . . . 15.0 111.33 -179.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 3.2 m -73.2 -22.71 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.578 0.584 . . . . 15.0 112.578 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 0.5 OUTLIER -50.62 -48.06 58.16 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.262 0.468 . . . . 15.0 112.262 -178.895 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.41 ' HG2' ' H ' ' B' ' 68' ' ' LYS . 26.5 pttt -79.99 -23.34 41.63 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.946 0.35 . . . . 15.0 111.946 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -77.35 -44.12 30.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.926 0.394 . . . . 15.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.314 -0.85 . . . . 15.0 111.076 -179.033 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.41 ' CD ' ' HG3' ' A' ' 18' ' ' GLU . 25.4 Cg_exo . . . . . 0 N--CA 1.465 -0.18 0 CA-C-O 121.082 0.367 . . . . 15.0 112.055 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -96.85 1.37 50.53 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.537 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -118.5 136.17 53.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.463 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.544 HD21 HG13 ' A' ' 42' ' ' VAL . 14.3 tp -55.36 -50.49 86.44 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 113.788 1.032 . . . . 15.0 113.788 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.1 Cg_endo -54.74 -43.13 62.08 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.132 1.888 . . . . 15.0 113.088 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -72.58 -30.47 64.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 15.0 110.772 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.488 HD23 HD11 ' A' ' 26' ' ' ILE . 31.5 tp -64.82 -34.18 77.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.031 0.443 . . . . 15.0 109.893 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.3 m -60.99 -39.77 90.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.168 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -64.77 -35.47 81.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.506 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' HG3' ' CD ' ' A' ' 9' ' ' PRO . 6.0 mm-40 -68.14 -36.59 79.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 15.0 110.303 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.4 mt -81.38 -6.81 59.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.991 -0.549 . . . . 15.0 110.647 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 63.1 40.37 9.11 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.768 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -145.42 -172.71 3.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.845 -0.616 . . . . 15.0 109.733 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.2 p -106.42 175.11 5.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.737 0.303 . . . . 15.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.415 ' H ' HG13 ' A' ' 23' ' ' ILE . 2.1 mt -72.29 1.39 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.132 0.491 . . . . 15.0 111.221 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -100.47 -7.98 23.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.071 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -123.4 -12.5 7.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.982 0.364 . . . . 15.0 111.982 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.488 HD11 HD23 ' A' ' 15' ' ' LEU . 10.0 tt -68.79 118.35 12.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.521 . . . . 15.0 110.974 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.6 mm -110.75 118.09 56.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.936 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -124.31 160.78 27.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.982 -0.553 . . . . 15.0 109.621 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -115.59 155.64 27.25 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.264 -0.174 . . . . 15.0 110.823 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 50.6 t -67.3 139.97 57.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 15.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.445 HG11 HG21 ' A' ' 53' ' ' VAL . 7.2 p -72.17 -31.21 38.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.631 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -95.62 -48.4 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.037 0.384 . . . . 15.0 112.037 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.2 m -83.09 -21.56 33.66 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.184 0.439 . . . . 15.0 112.184 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 4.4 mptt 58.65 45.13 16.43 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.578 0.704 . . . . 15.0 111.008 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -122.49 139.68 53.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.42 -0.809 . . . . 15.0 109.398 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -65.68 127.54 32.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.009 0.433 . . . . 15.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mp -83.33 142.83 30.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.508 -0.769 . . . . 15.0 110.909 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.438 ' O ' HG23 ' A' ' 42' ' ' VAL . 85.3 mt -85.29 163.92 18.33 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.003 -0.739 . . . . 15.0 109.003 178.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -60.18 -19.07 52.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.7 0.286 . . . . 15.0 111.228 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -61.73 -50.22 73.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.84 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -76.62 -27.98 55.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.592 -179.488 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.544 HG13 HD21 ' A' ' 12' ' ' LEU . 76.8 t -60.59 -40.43 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.035 -0.53 . . . . 15.0 110.374 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -68.79 -32.78 72.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.392 . . . . 15.0 110.57 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' OD1' ' HD2' ' A' ' 48' ' ' ARG . 4.5 t70 -67.86 -40.04 83.69 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.426 -0.583 . . . . 15.0 109.426 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -62.43 -34.09 76.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.167 -0.924 . . . . 15.0 110.472 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.03 -25.99 31.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.993 -0.549 . . . . 15.0 110.846 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -73.16 -54.79 7.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.09 -0.504 . . . . 15.0 109.818 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.404 ' HD2' ' OD1' ' A' ' 44' ' ' ASP . 33.6 mtt85 -82.99 162.94 21.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.823 -0.626 . . . . 15.0 109.7 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -91.98 103.23 15.77 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.657 -0.417 . . . . 15.0 110.744 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.0 mt -130.27 175.73 8.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.046 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.9 p -124.93 147.76 48.7 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.396 -0.366 . . . . 15.0 110.342 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.474 HD11 ' HA ' ' A' ' 12' ' ' LEU . 57.2 mt -81.11 125.92 39.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.738 0.304 . . . . 15.0 110.466 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.445 HG21 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -91.18 129.38 42.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.999 -0.546 . . . . 15.0 110.021 179.691 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -106.94 111.2 23.59 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.395 -0.366 . . . . 15.0 110.872 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.422 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 2.1 tmm_? -97.12 112.71 24.37 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.86 -0.793 . . . . 15.0 108.86 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 t70 63.9 19.86 11.94 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.629 0.728 . . . . 15.0 110.099 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.89 -8.39 70.53 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.498 -0.774 . . . . 15.0 112.508 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.49 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 1.2 t-20 -87.21 133.9 37.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.92 -0.4 . . . . 15.0 109.92 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.49 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 41.6 Cg_endo -67.99 116.84 4.52 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.678 2.252 . . . . 15.0 112.857 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' A' ' 55' ' ' ARG . 33.2 m-85 -121.9 163.92 18.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.63 -0.714 . . . . 15.0 109.823 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.52 -177.54 3.93 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.874 0.369 . . . . 15.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.8 t -114.49 122.04 67.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.036 -0.727 . . . . 15.0 109.036 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 27.6 p -75.86 -179.79 5.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.176 0.512 . . . . 15.0 111.454 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -70.61 -17.35 62.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.486 -0.779 . . . . 15.0 110.515 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -82.67 -52.79 6.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 15.0 110.108 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.7 m -73.32 -17.84 61.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.68 -0.691 . . . . 15.0 111.625 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 22.7 tp . . . . . 0 CA--C 1.533 0.318 0 CA-C-N 115.981 -0.554 . . . . 15.0 112.358 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.238 0.454 0 N-CA-C 109.556 -0.535 . . . . 15.0 109.556 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' B' ' 11' ' ' LYS . 10.3 Cg_endo -52.43 143.2 45.38 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.699 2.266 . . . . 15.0 111.884 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.613 ' N ' ' HD3' ' B' ' 10' ' ' ARG . 0.0 OUTLIER -77.98 20.08 0.38 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.87 -0.604 . . . . 15.0 111.119 -178.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' B' ' 9' ' ' PRO . 64.1 mmtt -131.87 123.8 28.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.266 -0.642 . . . . 15.0 109.266 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.516 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 36.1 tp -51.54 -50.47 76.65 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 113.479 0.918 . . . . 15.0 113.479 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 10.0 Cg_endo -53.59 -35.09 75.88 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 122.301 2.0 . . . . 15.0 113.213 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -86.26 -27.96 24.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 15.0 110.838 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.65 -35.02 79.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.149 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 34.4 m -64.54 -29.68 70.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.925 -0.579 . . . . 15.0 110.592 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -38.47 78.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.533 -0.303 . . . . 15.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -68.98 -23.41 64.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.269 0.557 . . . . 15.0 109.71 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 15.2 mt -94.21 -1.59 53.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.391 -0.822 . . . . 15.0 110.082 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 57.25 44.03 22.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.534 -0.757 . . . . 15.0 111.67 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.8 t -147.81 -172.86 4.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.401 -0.363 . . . . 15.0 110.548 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.7 p -118.36 172.04 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.775 0.322 . . . . 15.0 111.297 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.436 ' HA ' HG22 ' B' ' 26' ' ' ILE . 4.0 mt -72.34 -3.5 4.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.26 0.552 . . . . 15.0 111.273 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -102.07 7.9 41.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.03 0.443 . . . . 15.0 109.937 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -130.31 -39.09 1.35 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.994 -0.548 . . . . 15.0 111.294 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.436 HG22 ' HA ' ' B' ' 23' ' ' ILE . 12.0 tt -65.98 133.66 30.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.092 -0.503 . . . . 15.0 111.331 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 36.6 mm -124.43 129.03 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.133 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.7 mp -114.25 158.41 21.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.431 -0.35 . . . . 15.0 110.451 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.473 ' HB2' ' CE2' ' B' ' 60' ' ' TYR . 85.6 mt-10 -105.05 158.21 16.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.37 -0.377 . . . . 15.0 110.035 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 37.0 t -73.52 136.75 44.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.901 -0.407 . . . . 15.0 109.901 178.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.42 HG13 ' CD2' ' B' ' 32' ' ' TYR . 4.8 p -66.56 -23.54 31.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.753 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.544 ' HB2' ' SG ' ' B' ' 66' ' ' CYS . 67.6 m-85 -109.14 -53.52 2.64 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.04 0.385 . . . . 15.0 112.04 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 5.4 m -74.55 -22.6 58.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.726 0.298 . . . . 15.0 111.164 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 51.6 mttp 62.19 26.79 16.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.653 -0.703 . . . . 15.0 111.136 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -99.63 149.93 22.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.529 -0.76 . . . . 15.0 109.718 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -74.75 124.95 27.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.841 0.353 . . . . 15.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.74 130.76 36.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.035 -0.53 . . . . 15.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.85 157.05 38.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.974 -0.557 . . . . 15.0 109.502 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -55.8 -29.86 60.41 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.77 0.319 . . . . 15.0 110.588 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -58.44 -47.01 85.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 15.0 110.685 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.3 -33.51 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.799 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.5 -37.99 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 15.0 111.044 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -65.35 -40.76 94.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.574 -0.284 . . . . 15.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.09 -36.71 80.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.429 0.633 . . . . 15.0 109.394 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.418 ' HA ' HD12 ' B' ' 50' ' ' LEU . 82.9 t80 -60.42 -41.84 94.8 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.292 -0.867 . . . . 15.0 110.657 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.06 -25.54 40.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -44.19 69.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.541 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -81.07 162.22 23.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.106 -0.331 . . . . 15.0 110.106 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -84.07 78.24 9.79 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.247 -0.649 . . . . 15.0 109.247 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 45' ' ' PHE . 71.1 mt -110.28 -167.81 1.24 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.373 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 p -147.34 152.6 38.48 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.762 -0.458 . . . . 15.0 109.762 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 5.0 mp -80.21 122.97 36.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.587 -0.523 . . . . 15.0 109.587 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.6 t -90.41 127.82 42.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.578 -0.527 . . . . 15.0 109.578 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -94.09 111.07 22.75 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.043 0.449 . . . . 15.0 111.674 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -95.76 114.01 25.7 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.604 -0.887 . . . . 15.0 108.604 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 68.78 -78.06 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.92 0.762 . . . . 15.0 109.882 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.76 25.11 0.36 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.124 -0.56 . . . . 15.0 112.07 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -134.45 146.1 57.91 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.576 0.227 . . . . 15.0 110.783 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.76 117.58 4.87 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.941 2.427 . . . . 15.0 112.204 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' B' ' 29' ' ' GLU . 4.8 m-85 -119.42 162.84 18.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.062 -0.517 . . . . 15.0 109.953 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.57 179.51 4.2 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.881 0.372 . . . . 15.0 110.903 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.5 120.4 64.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.815 -0.63 . . . . 15.0 109.482 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' CYS . . . . . 0.6 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 30.7 p -72.93 175.65 6.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.982 0.42 . . . . 15.0 111.097 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.36 -23.54 67.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.818 -0.628 . . . . 15.0 110.804 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.43 ' HB2' ' SG ' ' B' ' 63' ' ' CYS . 18.9 mtpt -76.52 -58.07 3.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.951 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 29.4 m -70.3 -23.79 62.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.035 -0.53 . . . . 15.0 112.132 -178.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.6 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 9.7 tp -56.21 -46.85 79.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.739 0.304 . . . . 15.0 111.546 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -80.3 -24.83 39.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.84 0.352 . . . . 15.0 111.12 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -76.01 -46.46 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.5 0.556 . . . . 15.0 112.5 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.966 -0.54 . . . . 15.0 111.471 -178.436 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo . . . . . 0 N--CA 1.463 -0.276 0 CA-C-O 121.125 0.386 . . . . 15.0 112.201 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 2.2 mpt_? -96.59 -3.4 43.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.268 -0.424 . . . . 15.0 111.504 -178.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' OE1' ' A' ' 14' ' ' GLN . 51.8 mttm -107.78 133.74 51.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.563 -0.29 . . . . 15.0 110.252 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.4 tp -52.9 -51.57 73.13 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 113.257 0.836 . . . . 15.0 113.257 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.1 Cg_endo -55.88 -40.22 86.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 121.857 1.705 . . . . 15.0 112.551 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.473 ' OE1' ' HB2' ' A' ' 11' ' ' LYS . 93.6 mt-30 -69.19 -33.65 73.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.926 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.551 HD22 HD13 ' A' ' 52' ' ' ILE . 61.2 tp -64.89 -35.1 80.05 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.518 -0.549 . . . . 15.0 109.518 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -64.35 -40.21 95.41 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.743 -0.662 . . . . 15.0 109.995 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -44.3 96.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.585 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.08 -35.61 80.83 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.23 0.538 . . . . 15.0 110.336 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mt -82.18 -3.22 54.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.776 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 59.65 43.92 15.05 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.771 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.413 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 7.8 t -150.79 -174.18 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.001 -0.545 . . . . 15.0 110.568 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.4 p -111.54 175.56 5.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.993 0.425 . . . . 15.0 111.334 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.455 ' HA ' HG22 ' A' ' 26' ' ' ILE . 19.6 mt -69.68 -13.16 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -89.17 -6.86 56.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.007 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.413 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 29.3 t70 -120.96 -27.06 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.689 0.255 . . . . 15.0 111.689 -178.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.455 HG22 ' HA ' ' A' ' 23' ' ' ILE . 18.5 tt -58.09 124.35 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 121.396 0.617 . . . . 15.0 111.628 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.1 mm -106.6 117.09 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.855 -0.612 . . . . 15.0 110.54 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.614 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.4 mp -124.24 148.13 47.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.223 -0.444 . . . . 15.0 109.818 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -109.64 158.44 18.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.36 -0.382 . . . . 15.0 110.358 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 44.4 t -67.27 140.06 57.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.186 0.517 . . . . 15.0 110.966 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.42 -22.42 22.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.533 -0.758 . . . . 15.0 111.05 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -104.22 -63.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.453 ' HB2' ' HG2' ' A' ' 35' ' ' GLN . 28.1 m -68.61 -20.6 64.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.732 0.301 . . . . 15.0 111.667 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 47.5 mmtm 67.0 9.07 6.61 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.896 -0.593 . . . . 15.0 111.652 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.453 ' HG2' ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -87.62 151.63 22.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.505 -0.316 . . . . 15.0 110.32 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -69.42 134.79 49.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.165 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -81.21 141.41 34.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.45 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 42' ' ' VAL . 92.9 mt -81.0 167.65 19.57 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.998 -0.371 . . . . 15.0 109.998 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -61.84 -15.6 43.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.527 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 40' ' ' ARG . 9.5 mmm180 -75.6 -47.48 26.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.065 0.46 . . . . 15.0 110.333 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mp0 -71.4 -33.32 69.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.905 -0.589 . . . . 15.0 111.455 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 38' ' ' LEU . 51.1 t -62.4 -39.89 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.88 0.372 . . . . 15.0 110.771 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -66.67 -45.95 77.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.549 . . . . 15.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -61.31 -39.8 91.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.68 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -60.83 -36.46 79.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 15.0 111.09 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.56 -24.21 49.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 15.0 111.355 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.95 -24.61 48.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 15.0 110.527 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.474 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 46.6 mtt180 -87.17 174.13 8.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.422 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -104.24 21.93 15.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.221 0.534 . . . . 15.0 110.953 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.78 155.52 26.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.582 -0.736 . . . . 15.0 110.142 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.5 m -103.87 172.43 6.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.77 0.319 . . . . 15.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.551 HD13 HD22 ' A' ' 15' ' ' LEU . 16.6 mt -80.14 130.6 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.298 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -91.94 112.6 25.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.358 0.599 . . . . 15.0 110.435 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -93.57 107.48 19.33 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.185 0.517 . . . . 15.0 109.876 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -101.43 116.98 34.0 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.986 -0.746 . . . . 15.0 108.986 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 t70 72.06 -71.14 0.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 124.225 0.953 . . . . 15.0 110.498 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.25 29.27 0.11 Allowed Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.166 -0.774 . . . . 15.0 111.166 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 2.4 t-20 -133.31 134.28 23.83 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.152 -0.314 . . . . 15.0 110.152 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 6.7 Cg_exo -72.85 99.16 1.05 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.496 2.131 . . . . 15.0 111.222 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -97.74 159.66 14.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.311 -0.404 . . . . 15.0 110.144 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.614 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -117.12 168.01 10.66 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.926 -0.579 . . . . 15.0 110.339 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.0 t -116.32 114.31 45.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 108.954 -0.758 . . . . 15.0 108.954 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.34 164.96 25.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.26 -0.274 . . . . 15.0 110.26 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.413 ' HA ' ' HB2' ' A' ' 67' ' ' LEU . 31.8 t70 -53.51 -31.59 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.405 . . . . 15.0 111.76 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -57.27 -59.06 5.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 15.0 111.169 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -30.39 64.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.005 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.474 HD13 ' CZ ' ' A' ' 48' ' ' ARG . 10.0 mt . . . . . 0 C--N 1.329 -0.303 0 N-CA-C 113.066 0.765 . . . . 15.0 113.066 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.436 ' HB3' ' CE2' ' B' ' 54' ' ' TYR . 18.9 mtm180 . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 121.142 0.496 . . . . 15.0 110.835 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.464 ' CG ' ' HG3' ' B' ' 18' ' ' GLU . 12.6 Cg_exo -70.02 161.25 46.68 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.772 2.314 . . . . 15.0 111.926 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -99.22 5.64 46.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.783 0.325 . . . . 15.0 111.836 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -120.68 142.06 49.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.796 0.332 . . . . 15.0 110.695 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.471 HD23 ' HB2' ' B' ' 46' ' ' ALA . 39.8 tp -55.37 -53.63 59.89 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 113.251 0.834 . . . . 15.0 113.251 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.4 Cg_endo -55.16 -42.69 66.33 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.112 1.875 . . . . 15.0 112.435 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -67.98 -40.75 83.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 15.0 110.55 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.96 -38.68 86.75 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.966 -0.561 . . . . 15.0 110.572 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 64.6 m -62.4 -40.37 96.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 15.0 110.435 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m -64.24 -41.3 97.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.446 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' B' ' 9' ' ' PRO . 10.1 mm-40 -68.07 -34.7 76.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.445 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 mt -83.1 -1.82 53.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.531 . . . . 15.0 110.98 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 62.28 35.92 14.99 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.023 -0.535 . . . . 15.0 111.49 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.4 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 13.3 t -141.22 -173.05 3.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.425 -0.352 . . . . 15.0 110.422 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.08 164.98 15.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.572 -0.286 . . . . 15.0 110.405 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.23 -20.25 19.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 121.005 0.431 . . . . 15.0 111.974 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -87.15 -5.85 58.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.241 -0.287 . . . . 15.0 111.77 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.4 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 29.7 t70 -121.37 -31.9 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.709 0.263 . . . . 15.0 111.709 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 tt -58.35 135.13 22.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.402 0.62 . . . . 15.0 111.798 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 mm -122.05 114.76 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.797 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -114.5 156.75 24.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.276 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -115.52 159.5 21.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.321 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' CYS . . . . . 0.48 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 53.5 t -68.73 138.16 54.66 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.581 -0.525 . . . . 15.0 109.581 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.99 -24.85 33.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.853 0.359 . . . . 15.0 111.32 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -101.46 -67.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.831 0.348 . . . . 15.0 111.456 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' CYS . . . . . 0.437 ' SG ' ' NZ ' ' B' ' 65' ' ' LYS . 1.4 m -67.73 -18.56 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.969 -0.559 . . . . 15.0 112.08 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 61.1 mttp 56.05 37.03 28.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.607 0.718 . . . . 15.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -97.69 139.06 34.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.113 -0.948 . . . . 15.0 109.565 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -70.44 111.29 5.89 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.87 -0.418 . . . . 15.0 109.87 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mp -73.27 130.17 39.63 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.318 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.03 149.53 50.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.655 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -48.63 -39.36 23.85 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.45 0.469 . . . . 15.0 112.079 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.522 ' HA ' ' CD2' ' B' ' 43' ' ' TYR . 47.4 ttp180 -61.48 -43.02 99.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.716 0.293 . . . . 15.0 111.363 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.9 -31.65 71.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.045 0.45 . . . . 15.0 110.415 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.59 -34.06 65.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.709 -0.678 . . . . 15.0 110.945 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' B' ' 40' ' ' ARG . 16.9 m-85 -63.89 -27.08 68.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.464 -0.335 . . . . 15.0 111.078 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -26.93 66.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.955 0.407 . . . . 15.0 110.473 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.58 -31.76 70.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.627 -0.715 . . . . 15.0 110.116 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.471 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -85.99 -33.05 21.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.768 -0.651 . . . . 15.0 110.193 178.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -48.75 79.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.334 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -97.65 156.43 16.54 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.419 -0.586 . . . . 15.0 109.419 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -85.21 98.09 10.29 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.302 -0.559 . . . . 15.0 110.081 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.2 mt -126.61 169.31 13.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.799 -0.637 . . . . 15.0 110.084 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 72.8 m -113.93 146.0 40.7 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.248 -0.433 . . . . 15.0 110.225 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 47.1 mt -83.36 134.71 26.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.967 0.413 . . . . 15.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 m -97.12 136.42 27.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.288 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' B' ' 8' ' ' ARG . 23.9 m-85 -111.04 116.39 31.08 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.944 0.402 . . . . 15.0 111.299 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.444 ' NH1' ' HB2' ' B' ' 56' ' ' ASP . 0.4 OUTLIER -86.64 104.53 16.14 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.019 -1.104 . . . . 15.0 108.019 178.618 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.444 ' HB2' ' NH1' ' B' ' 55' ' ' ARG . 19.8 t70 68.72 -77.46 0.05 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.964 0.79 . . . . 15.0 110.245 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.95 21.32 0.88 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.749 -0.54 . . . . 15.0 111.749 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -121.39 138.35 28.08 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.429 0.157 . . . . 15.0 110.589 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -71.53 118.89 5.89 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.564 2.176 . . . . 15.0 112.059 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -124.37 164.46 19.59 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.184 0.516 . . . . 15.0 110.56 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.1 -174.65 2.63 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.299 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 t -123.34 121.75 63.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.321 -0.622 . . . . 15.0 109.321 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 31.0 p -70.02 170.78 10.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 15.0 111.131 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.42 -28.64 65.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.427 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.437 ' NZ ' ' SG ' ' B' ' 33' ' ' CYS . 0.1 OUTLIER -78.17 -52.79 8.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.133 -0.485 . . . . 15.0 111.088 -179.233 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 60.6 m -68.16 -23.99 64.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 15.0 111.348 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 15.8 tp -55.14 -52.96 61.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.15 0.5 . . . . 15.0 111.103 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -80.54 -14.18 58.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.054 -0.521 . . . . 15.0 111.322 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.28 -46.18 20.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.15 -0.477 . . . . 15.0 111.075 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.842 -0.599 . . . . 15.0 110.92 -179.289 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo . . . . . 0 N--CA 1.459 -0.525 0 CA-C-O 120.82 0.258 . . . . 15.0 112.076 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -96.06 -5.24 41.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.387 -0.369 . . . . 15.0 110.458 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -106.12 128.27 53.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.152 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.583 HD23 ' HB2' ' A' ' 46' ' ' ALA . 19.8 tp -54.59 -48.98 93.68 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 112.983 0.734 . . . . 15.0 112.983 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 8.9 Cg_endo -52.01 -39.67 69.26 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.16 1.907 . . . . 15.0 112.463 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -75.96 -30.97 58.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.712 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.744 HD22 HD13 ' A' ' 52' ' ' ILE . 46.1 tp -65.23 -35.67 81.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.307 0.575 . . . . 15.0 109.801 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -64.9 -33.15 75.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.651 -0.704 . . . . 15.0 109.916 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -38.9 72.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.505 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -66.51 -38.46 87.26 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.135 0.493 . . . . 15.0 110.115 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mt -80.87 -8.65 59.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.856 -0.611 . . . . 15.0 110.849 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 59.04 48.7 10.41 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.805 -0.634 . . . . 15.0 110.913 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -147.09 -179.87 7.13 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.348 -0.387 . . . . 15.0 110.335 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.8 p -100.83 163.79 12.14 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.106 0.479 . . . . 15.0 111.304 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.428 ' HA ' HG22 ' A' ' 26' ' ' ILE . 16.2 mt -68.5 -14.47 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 115.673 -0.694 . . . . 15.0 111.305 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.64 -4.47 55.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.353 -0.385 . . . . 15.0 110.726 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -115.43 -34.78 4.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.36 -0.382 . . . . 15.0 111.559 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.428 HG22 ' HA ' ' A' ' 23' ' ' ILE . 18.4 tt -61.66 123.71 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.356 0.598 . . . . 15.0 111.429 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -115.94 104.4 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.899 -0.591 . . . . 15.0 109.791 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.489 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.2 tp -95.66 154.7 17.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.161 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -111.77 151.73 28.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.32 -0.4 . . . . 15.0 110.483 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.515 ' HB3' ' H ' ' A' ' 35' ' ' GLN . 46.4 t -70.89 139.16 50.69 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.715 -0.476 . . . . 15.0 109.715 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.501 HG23 ' HB2' ' A' ' 55' ' ' ARG . 9.5 p -80.92 -19.91 11.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.836 -0.62 . . . . 15.0 111.196 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -92.91 -67.83 0.84 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.219 0.452 . . . . 15.0 112.219 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.401 ' SG ' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -84.73 -9.25 58.39 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.435 0.532 . . . . 15.0 112.435 -178.378 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 13.1 mptt 59.98 62.11 1.73 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.436 0.636 . . . . 15.0 110.441 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.515 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 18.6 mm-40 -125.12 136.34 53.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.536 -0.756 . . . . 15.0 109.821 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -73.03 121.24 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.838 0.351 . . . . 15.0 110.648 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -86.12 132.81 33.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.638 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 42' ' ' VAL . 31.0 tp -80.23 160.01 25.73 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.135 -0.691 . . . . 15.0 109.135 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' HA ' ' HB ' ' A' ' 42' ' ' VAL . 2.5 ptm180 -53.1 -24.31 9.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.529 0.204 . . . . 15.0 111.46 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -59.31 -45.13 92.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.042 0.448 . . . . 15.0 110.714 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.85 -29.52 29.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.111 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 38' ' ' LEU . 97.4 t -61.12 -37.38 77.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.192 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -65.33 -36.11 83.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.496 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -67.38 -34.11 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 15.0 110.56 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -64.66 -34.4 78.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.598 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.583 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -85.24 -27.17 26.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 15.0 111.494 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -21.16 62.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 15.0 111.062 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -114.47 156.19 25.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.621 -0.511 . . . . 15.0 109.621 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -81.22 83.97 6.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.349 0.595 . . . . 15.0 110.455 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.0 mt -117.38 177.1 4.86 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.559 -0.746 . . . . 15.0 110.28 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.9 m -132.03 146.73 52.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.179 -0.464 . . . . 15.0 110.33 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.744 HD13 HD22 ' A' ' 15' ' ' LEU . 65.8 mt -80.69 135.61 24.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.993 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.421 HG21 HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -100.72 136.53 31.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.78 -0.645 . . . . 15.0 109.954 179.64 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -113.97 110.64 20.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.952 0.405 . . . . 15.0 111.791 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' HB2' HG23 ' A' ' 31' ' ' VAL . 3.3 tmm_? -91.11 111.92 23.61 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.549 -0.908 . . . . 15.0 108.549 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 12.0 t70 71.71 -69.58 0.18 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.864 0.728 . . . . 15.0 110.89 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.75 34.93 0.16 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.968 -0.634 . . . . 15.0 112.205 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.453 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 29.9 t30 -137.14 133.67 18.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.453 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 37.4 Cg_endo -67.6 119.72 6.74 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.823 2.349 . . . . 15.0 112.229 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' ' 58' ' ' ASN . 36.7 m-85 -126.47 157.53 38.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.041 0.448 . . . . 15.0 110.611 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.489 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -114.75 -171.16 1.88 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.785 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 6.2 t -127.84 119.66 52.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.978 -0.749 . . . . 15.0 108.978 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 2.8 p -73.16 172.72 10.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 15.0 111.118 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -58.23 -24.13 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.643 -0.708 . . . . 15.0 112.234 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -73.93 -58.69 3.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.68 -0.236 . . . . 15.0 110.947 -179.339 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.433 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -73.61 -17.86 61.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.821 0.343 . . . . 15.0 111.845 -179.607 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 11.1 tp . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.029 -0.532 . . . . 15.0 112.221 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 . . . . . 0 C--O 1.236 0.364 0 CA-C-O 120.903 0.383 . . . . 15.0 110.748 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.92 177.69 6.11 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.83 2.353 . . . . 15.0 112.493 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -102.49 -3.07 27.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.48 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' B' ' 14' ' ' GLN . 62.9 mmtt -102.84 136.29 42.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.953 -0.388 . . . . 15.0 109.953 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.65 ' HA ' HD11 ' B' ' 52' ' ' ILE . 12.7 tp -58.27 -53.68 63.59 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.605 0.594 . . . . 15.0 112.605 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.6 Cg_endo -56.66 -34.83 96.72 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.111 1.874 . . . . 15.0 112.204 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.41 ' HB2' ' HB2' ' B' ' 11' ' ' LYS . 2.0 tt0 -69.94 -35.34 74.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.759 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.412 HD22 HD13 ' B' ' 52' ' ' ILE . 22.6 tp -65.43 -34.57 78.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.039 0.447 . . . . 15.0 110.099 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 36.3 m -61.6 -33.08 73.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.704 -0.68 . . . . 15.0 110.279 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -44.16 72.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.036 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.02 -38.02 89.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 15.0 110.371 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.72 -6.67 54.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.954 -0.566 . . . . 15.0 111.145 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 57.95 44.58 19.51 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.108 -0.496 . . . . 15.0 112.202 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -150.03 -178.9 6.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.603 -0.271 . . . . 15.0 110.523 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -98.95 173.85 6.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.947 0.404 . . . . 15.0 110.607 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.432 ' H ' HG13 ' B' ' 23' ' ' ILE . 1.2 mt -78.4 2.73 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.467 0.651 . . . . 15.0 110.183 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -104.58 7.61 35.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.714 -0.676 . . . . 15.0 110.165 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -131.29 -32.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.969 -0.559 . . . . 15.0 111.887 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.5 tt -77.27 125.21 36.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.242 0.544 . . . . 15.0 111.527 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 49.8 mm -115.09 127.75 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 15.0 110.139 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.62 161.04 19.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.701 0.286 . . . . 15.0 110.686 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -111.47 156.89 20.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.561 -0.291 . . . . 15.0 110.69 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 48.6 t -69.45 139.18 53.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 15.0 110.23 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 6.8 p -73.26 -23.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.994 -0.548 . . . . 15.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -102.91 -60.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.743 0.306 . . . . 15.0 111.493 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 m -71.66 -21.49 61.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 15.0 111.463 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 93.6 mttt 64.17 17.78 10.88 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.08 -0.509 . . . . 15.0 111.083 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -90.91 158.73 16.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.357 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -77.43 132.5 38.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.863 0.363 . . . . 15.0 111.221 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -96.69 112.27 24.09 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.111 -0.495 . . . . 15.0 109.817 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.422 ' O ' HG23 ' B' ' 42' ' ' VAL . 71.5 mt -67.72 165.45 17.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.779 -0.452 . . . . 15.0 109.779 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -54.0 -21.71 8.81 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.772 0.32 . . . . 15.0 111.618 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -59.38 -49.61 77.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.994 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -82.34 -25.74 33.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.721 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 38' ' ' LEU . 89.7 t -62.15 -45.45 98.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.381 . . . . 15.0 110.174 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -69.98 -31.08 68.6 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -65.19 -38.58 90.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.538 0.685 . . . . 15.0 109.321 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.76 -43.07 69.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.915 -1.038 . . . . 15.0 110.454 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.441 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -75.43 -23.51 56.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.91 -0.586 . . . . 15.0 112.398 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -36.88 85.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.011 0.434 . . . . 15.0 110.477 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 -92.84 -140.14 0.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.615 -0.721 . . . . 15.0 109.106 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -147.42 84.61 1.57 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.211 0.529 . . . . 15.0 110.168 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mp -120.6 151.34 39.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.647 -0.706 . . . . 15.0 109.67 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 27.2 p -92.85 156.94 16.65 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.283 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.65 HD11 ' HA ' ' B' ' 12' ' ' LEU . 74.6 mt -80.34 131.57 33.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.085 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 5.9 t -91.06 117.09 33.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.129 -0.693 . . . . 15.0 109.129 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -94.31 110.56 22.31 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.214 0.53 . . . . 15.0 111.461 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.437 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -97.14 115.79 28.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.752 -0.832 . . . . 15.0 108.752 178.769 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 3.7 t70 71.53 -71.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.882 0.739 . . . . 15.0 111.064 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.79 22.66 0.1 OUTLIER Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.899 -0.667 . . . . 15.0 112.011 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.431 ' HA ' ' HD3' ' B' ' 59' ' ' PRO . 1.6 t30 -132.47 144.06 51.41 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 110.096 -0.335 . . . . 15.0 110.096 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 12.1 Cg_exo -69.49 122.88 9.63 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.665 2.244 . . . . 15.0 112.78 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -121.83 154.13 37.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.209 -0.663 . . . . 15.0 109.209 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.47 179.63 3.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.132 0.492 . . . . 15.0 111.14 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 25.9 t -119.41 123.22 70.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.606 -0.725 . . . . 15.0 109.456 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 6.4 p -77.78 171.98 14.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.905 0.383 . . . . 15.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.25 -31.72 65.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.652 -0.704 . . . . 15.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -56.93 5.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.866 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 37.1 m -69.59 -17.86 63.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 15.0 112.333 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.0 -48.96 67.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.779 0.323 . . . . 15.0 111.636 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -81.71 -11.47 59.03 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.288 -0.415 . . . . 15.0 111.617 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -72.46 -51.87 18.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.512 -0.313 . . . . 15.0 111.475 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.425 -0.798 . . . . 15.0 110.88 -178.443 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo . . . . . 0 C--O 1.233 0.234 0 CA-C-O 121.198 0.416 . . . . 15.0 112.71 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -93.35 -5.22 50.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.833 -0.621 . . . . 15.0 110.975 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -115.2 133.15 56.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.105 0.479 . . . . 15.0 110.591 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.516 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 4.4 tp -53.22 -51.2 77.48 Favored Pre-proline 0 CA--C 1.538 0.515 0 N-CA-C 113.739 1.015 . . . . 15.0 113.739 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 7.7 Cg_endo -51.69 -37.97 65.41 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 122.214 1.943 . . . . 15.0 112.856 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -73.68 -36.53 65.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.477 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.418 HD22 HD13 ' A' ' 52' ' ' ILE . 54.4 tp -63.22 -35.06 79.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.864 -0.607 . . . . 15.0 111.117 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.5 m -54.49 -37.12 64.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.099 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -42.81 73.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.427 -0.352 . . . . 15.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.72 -33.81 75.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.974 0.416 . . . . 15.0 110.753 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -85.24 -3.83 58.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.757 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 56.95 57.11 4.85 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.853 -0.612 . . . . 15.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 15.3 t -158.67 -175.12 5.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.137 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.16 169.6 9.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.593 -0.276 . . . . 15.0 110.766 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.487 ' HA ' HG22 ' A' ' 26' ' ' ILE . 21.0 mt -67.38 -7.65 6.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.487 0.661 . . . . 15.0 111.449 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -95.96 -9.38 31.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.202 -0.454 . . . . 15.0 110.65 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.401 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 22.5 t70 -123.52 -30.51 3.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 15.0 111.989 -178.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.487 HG22 ' HA ' ' A' ' 23' ' ' ILE . 19.6 tt -57.54 126.04 14.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.511 0.672 . . . . 15.0 111.834 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.8 mm -125.44 120.07 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.468 -0.787 . . . . 15.0 109.719 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mp -118.38 160.87 20.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.315 -0.402 . . . . 15.0 110.382 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -110.43 156.82 20.29 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.344 -0.389 . . . . 15.0 110.352 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 41.1 t -68.29 140.09 55.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.967 0.413 . . . . 15.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.13 -31.66 54.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.439 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -105.79 -49.95 3.29 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.22 0.452 . . . . 15.0 112.22 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 m -77.19 -23.77 51.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.612 0.227 . . . . 15.0 111.612 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER 61.05 24.12 14.25 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.129 0.49 . . . . 15.0 110.954 -179.54 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -88.61 156.37 19.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.868 -0.606 . . . . 15.0 109.788 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -77.13 119.89 21.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.977 0.417 . . . . 15.0 111.064 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -86.47 112.99 22.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.83 -0.623 . . . . 15.0 109.878 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.62 158.87 26.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.758 -0.46 . . . . 15.0 109.758 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 39' ' ' ARG . 2.5 ptm180 -54.08 -21.07 7.59 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.859 0.318 . . . . 15.0 111.859 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -59.92 -47.28 86.44 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 110.133 -0.321 . . . . 15.0 110.133 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -75.95 -30.77 58.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 15.0 109.71 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.9 t -59.39 -41.22 83.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.312 -0.858 . . . . 15.0 110.305 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -64.67 -42.25 95.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.16 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.21 -30.26 70.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.93 -0.577 . . . . 15.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -65.24 -34.79 79.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.874 -0.603 . . . . 15.0 110.156 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.0 -35.0 22.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.937 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -69.66 -37.23 76.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.832 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -93.91 175.59 6.66 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.662 -0.496 . . . . 15.0 109.662 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -100.61 82.24 2.42 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.265 0.555 . . . . 15.0 109.667 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.6 mt -118.62 156.83 28.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.061 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.39 148.43 40.67 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.11 -0.495 . . . . 15.0 109.988 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.436 HD11 ' HA ' ' A' ' 12' ' ' LEU . 55.4 mt -80.29 137.55 21.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.874 -0.603 . . . . 15.0 110.752 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.422 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -116.22 115.23 48.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.587 -0.733 . . . . 15.0 109.841 179.5 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -93.12 110.21 21.7 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.966 -0.383 . . . . 15.0 109.966 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -91.67 111.69 23.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.764 -0.653 . . . . 15.0 109.919 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 t0 65.18 27.23 12.31 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.882 0.739 . . . . 15.0 111.005 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.37 31.23 47.1 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.741 -0.742 . . . . 15.0 112.552 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.432 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 2.1 m-20 -124.86 143.88 45.13 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 109.863 -0.421 . . . . 15.0 109.863 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 16.9 Cg_exo -66.28 105.86 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.611 2.207 . . . . 15.0 112.446 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 38.1 m-85 -125.6 154.72 41.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.44 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.83 179.39 5.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.211 -0.449 . . . . 15.0 110.328 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -105.92 118.35 53.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.561 -0.533 . . . . 15.0 109.561 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 30.2 p -73.1 175.58 6.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.321 0.581 . . . . 15.0 111.568 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.67 -24.92 67.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.294 -0.866 . . . . 15.0 110.698 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -80.0 -57.42 3.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.882 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.5 m -68.49 -17.43 64.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 15.0 112.186 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.382 0 N-CA-C 112.324 0.49 . . . . 15.0 112.324 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.908 0.385 . . . . 15.0 110.607 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -63.39 159.6 39.25 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.158 1.905 . . . . 15.0 112.064 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -86.03 3.24 43.2 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.154 -0.475 . . . . 15.0 111.171 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -114.37 127.98 56.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.36 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 16.0 tp -51.65 -52.23 62.46 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 113.329 0.862 . . . . 15.0 113.329 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.8 Cg_endo -55.34 -37.6 94.47 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.186 1.924 . . . . 15.0 113.147 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -78.54 -32.06 47.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.998 0.427 . . . . 15.0 110.701 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -66.23 -35.49 80.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 15.0 109.936 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 61.2 m -62.17 -36.69 82.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.786 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.76 -40.28 84.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.462 -0.336 . . . . 15.0 110.725 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.42 -36.16 82.12 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.245 0.545 . . . . 15.0 109.865 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.67 -6.6 52.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.473 -0.785 . . . . 15.0 110.552 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 59.6 43.02 16.39 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.652 -0.704 . . . . 15.0 110.612 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -149.17 -172.2 4.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.519 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.0 p -112.91 172.5 6.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.821 0.343 . . . . 15.0 111.168 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 19.7 mt -68.96 -18.18 22.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.262 0.553 . . . . 15.0 110.682 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -80.13 -20.43 44.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.875 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -109.24 -19.88 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.019 0.378 . . . . 15.0 112.019 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 16.8 tt -63.74 135.36 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.267 0.556 . . . . 15.0 111.07 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 mm -124.22 128.51 73.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.619 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mp -133.04 160.1 38.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.265 -0.643 . . . . 15.0 109.265 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -116.17 157.71 24.4 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.646 -0.131 . . . . 15.0 110.646 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 46.7 t -67.34 136.95 55.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.126 0.488 . . . . 15.0 110.764 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.451 HG23 ' HG2' ' B' ' 55' ' ' ARG . 6.5 p -67.63 -24.13 30.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.375 -0.829 . . . . 15.0 111.606 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.4 ' CD2' HG13 ' B' ' 31' ' ' VAL . 63.4 m-85 -108.05 -49.86 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.032 0.382 . . . . 15.0 112.032 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 2.9 m -80.7 -21.73 40.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.818 0.303 . . . . 15.0 111.818 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 64.12 19.15 11.64 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.124 0.487 . . . . 15.0 111.109 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -88.35 145.9 25.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.057 -0.52 . . . . 15.0 109.846 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -70.01 121.61 17.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.988 0.423 . . . . 15.0 110.635 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -83.54 120.72 26.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.557 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.413 ' O ' HG23 ' B' ' 42' ' ' VAL . 39.2 mt -71.69 157.63 37.6 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.171 -0.677 . . . . 15.0 109.171 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 39' ' ' ARG . 0.6 OUTLIER -54.35 -24.22 18.55 Favored 'General case' 0 C--O 1.225 -0.235 0 O-C-N 123.016 0.198 . . . . 15.0 111.18 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -58.13 -43.48 87.27 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.943 0.401 . . . . 15.0 110.214 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.4 -34.09 31.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.75 -0.659 . . . . 15.0 109.809 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 38' ' ' LEU . 52.7 t -60.9 -37.6 77.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.673 -0.694 . . . . 15.0 110.254 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -64.97 -42.24 94.74 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.626 -0.509 . . . . 15.0 109.626 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -64.43 -39.03 93.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.696 -0.684 . . . . 15.0 109.889 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -64.31 -35.53 81.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.372 -0.831 . . . . 15.0 110.922 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.07 -26.17 29.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.266 -0.424 . . . . 15.0 111.226 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -69.99 -38.07 75.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.139 0.495 . . . . 15.0 110.059 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -87.14 -177.67 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.699 -0.682 . . . . 15.0 109.198 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -109.99 85.67 2.15 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -125.15 163.35 22.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.749 -0.659 . . . . 15.0 110.697 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 13.1 m -109.8 152.66 25.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.653 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 53.6 mt -84.63 122.76 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.086 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 17.0 t -90.66 113.68 26.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.112 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -92.97 109.06 20.5 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.955 0.407 . . . . 15.0 110.591 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.451 ' HG2' HG23 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -80.93 108.41 14.58 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 108.803 -0.814 . . . . 15.0 108.803 179.324 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 20.4 t70 69.79 -76.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 124.066 0.854 . . . . 15.0 110.539 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.1 32.48 0.37 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.082 -0.58 . . . . 15.0 112.273 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -133.6 137.1 28.09 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.234 -0.284 . . . . 15.0 110.234 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.63 114.81 2.22 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.824 2.35 . . . . 15.0 112.516 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -127.29 148.32 50.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.011 -0.54 . . . . 15.0 109.837 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.33 177.16 5.29 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.549 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 3.6 t -111.15 122.41 65.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.709 -0.478 . . . . 15.0 109.709 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.45 168.99 16.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.792 0.33 . . . . 15.0 110.585 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.37 -29.52 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.657 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -69.33 -57.72 4.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 15.0 110.607 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 58.8 m -66.6 -23.41 66.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.0 -0.545 . . . . 15.0 111.904 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' B' ' 67' ' ' LEU . 13.3 mt -58.48 -39.48 80.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.17 0.51 . . . . 15.0 111.577 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -82.65 -25.91 32.66 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.209 -0.45 . . . . 15.0 111.036 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -78.74 -42.68 27.52 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.806 0.669 . . . . 15.0 112.806 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.529 -0.748 . . . . 15.0 111.197 -178.64 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 N--CA 1.462 -0.382 0 CA-C-O 120.998 0.333 . . . . 15.0 112.054 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -90.79 4.07 52.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.953 0.406 . . . . 15.0 110.507 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -115.22 127.6 55.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.64 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.55 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 13.1 tp -52.58 -49.08 87.99 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 115.163 -0.926 . . . . 15.0 113.395 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 7.8 Cg_endo -51.68 -34.4 53.44 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.471 2.114 . . . . 15.0 113.072 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -81.09 -36.23 30.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.491 -0.322 . . . . 15.0 110.71 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.608 HD22 HD13 ' A' ' 52' ' ' ILE . 59.0 tp -60.34 -35.34 75.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.574 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -59.05 -39.2 81.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.809 -0.632 . . . . 15.0 110.318 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.05 -36.21 74.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 15.0 110.78 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -66.38 -38.33 87.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.603 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 mt -87.77 0.34 55.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 15.0 110.821 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 56.07 51.74 11.49 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.734 -0.666 . . . . 15.0 111.827 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -153.26 -174.69 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.916 -0.401 . . . . 15.0 109.916 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.8 p -111.71 169.26 8.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.852 0.358 . . . . 15.0 111.596 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.8 mt -66.59 -16.38 20.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.835 -0.62 . . . . 15.0 110.708 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -92.87 2.99 56.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.796 -0.638 . . . . 15.0 111.346 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -133.21 -27.34 1.6 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.938 0.348 . . . . 15.0 111.938 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.4 tt -65.33 127.98 27.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.307 0.575 . . . . 15.0 111.009 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 mm -116.91 128.24 74.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.123 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mp -130.17 148.89 52.06 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.882 -0.599 . . . . 15.0 109.967 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -106.56 159.44 16.18 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.118 -0.327 . . . . 15.0 110.118 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 43.4 t -67.25 143.11 56.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.163 0.506 . . . . 15.0 110.673 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.54 -29.25 37.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.822 -0.626 . . . . 15.0 111.231 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -105.41 -45.57 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.089 0.403 . . . . 15.0 112.089 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.5 m -83.07 -23.85 32.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.682 0.277 . . . . 15.0 111.609 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 5.2 mptt 63.21 20.76 12.47 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.049 -0.523 . . . . 15.0 111.222 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -87.81 144.75 26.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.079 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -71.01 113.71 8.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.661 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.51 135.98 52.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.026 0.441 . . . . 15.0 110.188 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.0 mt -74.02 159.75 32.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.963 -0.562 . . . . 15.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -53.19 -36.88 61.44 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.194 0.308 . . . . 15.0 111.603 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -65.7 -38.69 89.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.483 -0.326 . . . . 15.0 110.614 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.1 -33.77 76.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.116 0.484 . . . . 15.0 109.732 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 38' ' ' LEU . 26.4 t -67.37 -37.56 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.104 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -67.42 -41.21 85.22 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.015 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.418 ' HB2' HH21 ' B' ' 40' ' ' ARG . 1.1 t70 -63.03 -33.68 75.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.522 -0.763 . . . . 15.0 110.221 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -61.92 -32.74 73.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.659 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.13 -25.5 27.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.786 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -50.17 16.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.136 -0.484 . . . . 15.0 109.935 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -80.76 143.75 32.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.135 -0.691 . . . . 15.0 109.135 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -77.53 95.31 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.094 0.474 . . . . 15.0 110.084 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.9 mt -127.15 -179.9 5.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.81 -0.632 . . . . 15.0 110.862 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.7 p -131.32 151.78 51.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.792 -0.64 . . . . 15.0 110.063 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.608 HD13 HD22 ' A' ' 15' ' ' LEU . 25.9 mt -85.37 128.09 39.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.438 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.6 m -102.14 114.57 41.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.242 0.544 . . . . 15.0 110.257 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -94.35 110.2 21.99 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.396 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -84.75 113.53 21.39 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.9 -0.778 . . . . 15.0 108.9 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.59 -81.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 124.013 0.821 . . . . 15.0 110.622 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.75 38.61 0.51 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.067 -0.813 . . . . 15.0 111.067 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.423 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 1.5 m-20 -137.16 145.17 49.0 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 110.177 -0.305 . . . . 15.0 110.177 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 5.9 Cg_exo -74.1 106.67 2.26 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.456 2.104 . . . . 15.0 112.371 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -113.49 154.35 27.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.376 -0.375 . . . . 15.0 110.041 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.61 178.85 4.52 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.915 0.388 . . . . 15.0 110.545 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -117.74 119.41 61.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.308 -0.627 . . . . 15.0 109.308 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.7 p -73.7 169.78 16.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.083 -0.34 . . . . 15.0 110.083 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.12 -16.7 54.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.326 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -75.41 -58.8 3.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.277 0.56 . . . . 15.0 110.27 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -72.57 -21.82 61.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.358 -0.837 . . . . 15.0 111.693 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 112.56 0.578 . . . . 15.0 112.56 -179.617 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.417 ' HB3' ' CZ ' ' B' ' 54' ' ' TYR . 37.6 mtt85 . . . . . 0 N--CA 1.466 0.375 0 CA-C-O 120.954 0.407 . . . . 15.0 111.899 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -76.34 163.89 31.71 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 122.565 2.177 . . . . 15.0 111.952 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -98.24 -1.09 42.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -108.67 135.13 50.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.564 0.221 . . . . 15.0 110.794 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.477 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 54.4 tp -55.75 -52.3 73.26 Favored Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 112.559 0.578 . . . . 15.0 112.559 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.2 Cg_endo -56.18 -38.09 95.5 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 122.005 1.803 . . . . 15.0 112.288 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -66.39 -39.35 88.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 15.0 110.571 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.418 HD22 HD13 ' B' ' 52' ' ' ILE . 46.8 tp -66.57 -34.52 78.08 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.36 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.4 m -61.27 -38.15 85.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.478 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -30.92 67.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 15.0 110.767 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -65.48 -40.39 93.04 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.126 0.488 . . . . 15.0 110.091 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 13.8 mt -85.28 -4.19 59.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.511 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 60.03 52.41 5.2 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.496 -0.775 . . . . 15.0 111.093 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.1 t -150.39 -173.46 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.585 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 34.5 p -102.98 167.26 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 15.0 111.495 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.73 -25.74 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.769 -0.65 . . . . 15.0 110.882 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -89.3 8.56 29.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.261 -0.427 . . . . 15.0 111.091 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -128.1 -31.54 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.977 -0.289 . . . . 15.0 111.697 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 13.6 tt -58.88 117.58 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.285 0.564 . . . . 15.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -92.02 108.89 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.077 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.57 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.3 tp -109.61 153.37 24.3 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.447 ' HG3' ' CD1' ' B' ' 60' ' ' TYR . 5.8 pt-20 -116.62 149.88 38.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.245 -0.434 . . . . 15.0 110.794 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 40.5 m -66.44 136.37 55.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.772 0.32 . . . . 15.0 110.701 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.425 ' HA ' ' CD1' ' B' ' 60' ' ' TYR . 2.8 p -60.59 -43.37 94.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.718 -0.674 . . . . 15.0 112.688 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -102.78 -43.93 5.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.083 0.401 . . . . 15.0 112.083 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.12 -29.77 70.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.472 0.177 . . . . 15.0 111.27 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 tptp 59.07 44.68 15.74 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.425 0.631 . . . . 15.0 111.594 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -129.11 169.18 15.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.991 -0.744 . . . . 15.0 108.991 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -76.17 122.93 25.05 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.987 -0.285 . . . . 15.0 110.488 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.451 HD23 HG22 ' B' ' 42' ' ' VAL . 14.0 tp -61.29 134.32 56.84 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.548 ' HB2' ' OE1' ' B' ' 41' ' ' GLU . 89.2 mt -70.61 150.24 46.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.755 0.312 . . . . 15.0 110.755 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -52.09 -41.47 62.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.646 -0.706 . . . . 15.0 112.172 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.418 HH21 ' HB2' ' A' ' 44' ' ' ASP . 52.2 mtp180 -72.09 -33.04 67.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.458 -0.337 . . . . 15.0 111.048 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.548 ' OE1' ' HB2' ' B' ' 38' ' ' LEU . 2.7 mp0 -67.43 -33.15 74.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.995 0.426 . . . . 15.0 110.768 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 38' ' ' LEU . 33.5 t -60.97 -34.4 59.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.966 -0.561 . . . . 15.0 110.033 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -63.64 -39.67 94.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.724 -0.671 . . . . 15.0 111.238 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.98 -37.15 86.36 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.984 0.421 . . . . 15.0 110.201 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.481 ' HA ' HD13 ' B' ' 50' ' ' LEU . 6.6 t80 -64.3 -34.09 77.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.651 -0.704 . . . . 15.0 110.713 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.69 -12.97 46.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.181 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.01 -51.82 5.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 15.0 110.738 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -101.79 179.12 4.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.979 -0.555 . . . . 15.0 111.013 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -104.93 97.75 7.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.94 0.4 . . . . 15.0 110.144 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' B' ' 45' ' ' PHE . 6.5 mp -106.95 -29.36 9.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.997 -0.547 . . . . 15.0 111.145 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 49.4 t 73.93 142.27 0.07 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.923 0.764 . . . . 15.0 110.66 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.418 HD13 HD22 ' B' ' 15' ' ' LEU . 25.6 mt -80.34 123.95 37.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.902 0.382 . . . . 15.0 110.716 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 m -93.22 124.82 45.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.468 -0.568 . . . . 15.0 109.468 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 71.5 m-85 -105.71 109.66 21.7 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.145 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' B' ' 57' ' ' GLY . 5.0 mmm180 -100.11 119.12 37.83 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.833 -0.802 . . . . 15.0 108.833 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t70 74.27 -34.97 0.29 Allowed 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.749 0.656 . . . . 15.0 110.815 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' B' ' 55' ' ' ARG . . . 147.57 -2.09 0.76 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.515 -0.634 . . . . 15.0 111.515 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -97.16 141.04 22.45 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 110.056 -0.35 . . . . 15.0 110.056 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.57 114.2 3.76 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.478 2.119 . . . . 15.0 112.199 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' TYR . . . . . 0.447 ' CD1' ' HG3' ' B' ' 29' ' ' GLU . 58.0 m-85 -112.81 155.3 24.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 15.0 110.02 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.57 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -107.99 163.21 13.33 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.117 -0.492 . . . . 15.0 111.015 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 20.0 t -119.7 112.32 36.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.07 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 3.4 p -92.36 173.09 7.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.662 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -60.12 -26.25 66.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.485 0.66 . . . . 15.0 109.385 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 1.3 mtpt -66.34 -51.54 56.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.016 -0.993 . . . . 15.0 109.945 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 78.0 m -65.51 -37.02 85.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.74 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.3 -41.04 96.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 15.0 111.841 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 14.7 pttp -80.58 -22.56 40.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 15.0 110.787 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -76.97 -47.7 20.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 15.0 111.714 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.27 -0.871 . . . . 15.0 110.61 -179.032 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 N--CA 1.462 -0.355 0 N-CA-C 111.38 -0.277 . . . . 15.0 111.38 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -94.17 6.27 49.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.964 0.411 . . . . 15.0 111.114 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -120.45 136.47 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.331 0.586 . . . . 15.0 110.757 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.556 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.7 tp -56.4 -50.54 87.08 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 114.848 -1.069 . . . . 15.0 113.857 -178.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.1 Cg_endo -48.38 -46.59 22.75 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.829 2.353 . . . . 15.0 113.897 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -77.66 -31.22 52.47 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.67 0.248 . . . . 15.0 111.67 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.35 -35.52 79.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 15.0 110.711 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 m -60.36 -40.03 89.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.108 -0.497 . . . . 15.0 110.712 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.62 94.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 15.0 111.12 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.43 -32.86 74.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.029 0.443 . . . . 15.0 110.096 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.17 -2.68 56.11 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.919 -0.582 . . . . 15.0 109.963 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 60.4 31.96 20.49 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.212 -0.904 . . . . 15.0 111.521 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 t -138.28 179.39 6.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.872 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 p -99.31 171.42 7.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.016 0.436 . . . . 15.0 111.383 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.459 ' HA ' HG22 ' A' ' 26' ' ' ILE . 32.6 mt -68.22 -14.98 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.575 0.703 . . . . 15.0 110.399 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -86.51 -15.79 38.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.653 -0.703 . . . . 15.0 111.392 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -111.97 -23.59 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.86 0.319 . . . . 15.0 111.86 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.459 HG22 ' HA ' ' A' ' 23' ' ' ILE . 20.6 tt -64.35 121.98 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.483 0.659 . . . . 15.0 111.445 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -115.57 123.97 71.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.832 -0.622 . . . . 15.0 110.072 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.23 152.06 38.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.408 -0.36 . . . . 15.0 110.521 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.75 153.4 23.52 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.105 -0.331 . . . . 15.0 110.105 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.629 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 49.7 t -68.14 145.11 54.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.151 0.501 . . . . 15.0 111.153 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.424 HG23 ' HB2' ' A' ' 55' ' ' ARG . 6.0 p -81.26 -27.5 10.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.823 -0.626 . . . . 15.0 111.3 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -88.63 -62.44 1.49 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.356 0.502 . . . . 15.0 112.356 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.445 ' SG ' ' NZ ' ' A' ' 65' ' ' LYS . 1.7 p -89.61 -9.07 51.09 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.111 0.411 . . . . 15.0 112.111 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 7.1 mptt 61.5 29.24 18.28 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.248 -0.433 . . . . 15.0 111.602 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -85.32 149.1 25.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.599 -0.273 . . . . 15.0 110.43 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -80.22 113.65 18.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.827 -0.435 . . . . 15.0 109.827 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -78.26 131.53 37.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.258 -0.428 . . . . 15.0 111.178 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.6 mt -75.89 154.7 35.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.965 -0.561 . . . . 15.0 109.598 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 39' ' ' ARG . 14.6 ptt180 -54.05 -30.67 48.8 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.279 0.362 . . . . 15.0 111.434 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -56.88 -48.26 78.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.868 -0.605 . . . . 15.0 111.183 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -73.77 -31.16 63.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.022 -0.535 . . . . 15.0 110.422 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.75 -36.6 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.035 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -66.65 -34.29 77.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.819 0.342 . . . . 15.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -25.1 61.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.036 0.446 . . . . 15.0 110.421 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -62.88 -34.87 78.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.661 -0.699 . . . . 15.0 110.129 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.74 -26.97 27.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.728 -0.669 . . . . 15.0 110.611 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -40.6 83.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.698 -0.683 . . . . 15.0 110.732 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -93.94 178.09 5.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 15.0 109.997 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -95.4 93.29 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.129 0.49 . . . . 15.0 109.992 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.9 mt -135.86 159.31 42.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.688 -0.687 . . . . 15.0 110.682 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.0 m -122.75 154.36 38.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.036 -0.529 . . . . 15.0 109.72 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.41 HD11 ' HA ' ' A' ' 12' ' ' LEU . 44.0 mt -80.79 126.3 39.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.11 0.481 . . . . 15.0 110.846 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.73 124.66 43.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.501 -0.772 . . . . 15.0 109.843 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -103.79 110.07 22.03 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.876 0.37 . . . . 15.0 111.485 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.436 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 4.2 tmm_? -92.85 116.36 28.96 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.731 -0.84 . . . . 15.0 108.731 178.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 23.8 t70 73.67 -60.2 0.54 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.992 0.807 . . . . 15.0 110.675 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.39 28.81 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.367 -0.693 . . . . 15.0 111.367 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -128.16 149.59 71.57 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 109.688 -0.486 . . . . 15.0 109.688 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.63 118.12 5.34 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.539 2.159 . . . . 15.0 112.973 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 55' ' ' ARG . 70.0 m-85 -122.43 158.51 29.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.904 -0.589 . . . . 15.0 109.772 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -122.26 -173.12 2.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.549 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.2 t -129.65 119.17 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.07 -0.514 . . . . 15.0 109.637 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 7.1 p -78.55 171.39 15.18 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.376 -0.231 . . . . 15.0 110.376 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -53.71 -37.17 63.02 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.002 0.371 . . . . 15.0 112.002 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.445 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -65.06 -57.11 9.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.894 0.378 . . . . 15.0 111.275 -179.138 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.0 m -70.84 -20.96 62.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.102 -0.499 . . . . 15.0 111.323 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.034 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 . . . . . 0 C--O 1.234 0.286 0 CA-C-O 121.253 0.549 . . . . 15.0 110.601 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.44 174.45 12.81 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.827 2.351 . . . . 15.0 112.555 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -100.88 -12.3 19.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.352 -0.385 . . . . 15.0 111.742 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -105.57 137.66 43.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.718 0.294 . . . . 15.0 110.934 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 27.8 tp -56.18 -50.54 86.91 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 115.86 -0.609 . . . . 15.0 112.211 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.7 Cg_endo -53.2 -38.5 81.43 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.149 1.899 . . . . 15.0 112.237 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -71.08 -38.58 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 15.0 110.218 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.448 HD22 HD13 ' B' ' 52' ' ' ILE . 33.4 tp -61.83 -36.21 80.51 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.115 -0.493 . . . . 15.0 109.813 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 54.7 m -62.25 -39.95 94.55 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.588 -0.733 . . . . 15.0 110.025 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -65.26 -41.75 93.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.06 -0.518 . . . . 15.0 110.635 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.75 -36.02 82.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 15.0 110.38 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.41 -2.79 54.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.526 . . . . 15.0 110.833 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 62.36 42.2 9.34 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.951 -0.568 . . . . 15.0 111.725 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -147.98 -174.4 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.825 -0.435 . . . . 15.0 109.825 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.43 173.47 6.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.952 0.406 . . . . 15.0 111.444 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.443 ' HA ' HG22 ' B' ' 26' ' ' ILE . 13.0 mt -67.91 -7.35 6.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.842 -0.617 . . . . 15.0 111.266 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -95.46 -0.17 52.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.143 -0.48 . . . . 15.0 111.077 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -132.58 -33.5 1.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.158 0.429 . . . . 15.0 112.158 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.443 HG22 ' HA ' ' B' ' 23' ' ' ILE . 18.4 tt -58.48 118.78 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.623 0.725 . . . . 15.0 111.624 -179.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 41.8 mm -104.77 111.03 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.531 -0.759 . . . . 15.0 109.933 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.465 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.1 tp -109.49 147.25 33.23 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.64 -0.504 . . . . 15.0 109.64 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -102.92 158.55 16.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.653 0.263 . . . . 15.0 110.582 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 36.9 t -77.48 142.8 38.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.256 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 p -75.83 -25.31 17.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.041 -0.527 . . . . 15.0 111.272 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -98.49 -64.13 1.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.684 0.253 . . . . 15.0 111.684 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' CYS . . . . . 0.451 ' HB2' ' HG2' ' B' ' 35' ' ' GLN . 0.7 OUTLIER -70.24 -22.07 62.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.313 -0.403 . . . . 15.0 111.853 -178.663 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 44.6 mmtm 65.63 24.26 11.65 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.093 0.473 . . . . 15.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.451 ' HG2' ' HB2' ' B' ' 33' ' ' CYS . 0.0 OUTLIER -94.32 149.8 20.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.236 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -80.81 113.25 18.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.654 -0.869 . . . . 15.0 108.654 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -55.77 131.67 47.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.737 -0.665 . . . . 15.0 112.106 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.407 ' O ' HG23 ' B' ' 42' ' ' VAL . 34.8 mt -73.92 170.22 15.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.352 -0.84 . . . . 15.0 109.859 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -52.46 -45.18 65.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.656 -0.247 . . . . 15.0 111.418 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -62.69 -41.04 98.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.563 -0.29 . . . . 15.0 111.235 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -64.99 -40.89 95.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.797 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 38' ' ' LEU . 54.1 t -67.08 -40.36 85.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 121.243 0.544 . . . . 15.0 109.846 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -63.9 -35.72 81.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.517 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.18 -39.97 90.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.041 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.27 -40.63 86.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.832 -0.622 . . . . 15.0 111.129 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.439 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -81.7 -20.73 38.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.916 0.389 . . . . 15.0 111.573 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -77.19 -26.06 52.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.763 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -107.64 173.73 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.501 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -93.53 88.1 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.799 0.809 . . . . 15.0 109.692 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.614 HD21 HD21 ' B' ' 67' ' ' LEU . 1.2 mp -129.17 162.47 27.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.767 -0.652 . . . . 15.0 111.05 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.02 155.28 31.69 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.282 179.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.448 HD13 HD22 ' B' ' 15' ' ' LEU . 15.9 mt -79.88 129.34 37.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.98 0.419 . . . . 15.0 110.87 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.2 m -95.31 113.88 30.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.945 -0.57 . . . . 15.0 110.042 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -94.47 109.98 21.81 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.899 -0.591 . . . . 15.0 111.037 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -93.23 104.93 17.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.418 -0.956 . . . . 15.0 108.418 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 9.3 t0 70.24 -71.96 0.12 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.0 0.813 . . . . 15.0 110.562 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.98 17.18 0.38 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.059 -0.816 . . . . 15.0 111.059 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.457 ' HB3' ' CE2' ' B' ' 60' ' ' TYR . 2.3 t-20 -117.27 121.84 31.81 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.544 -0.328 . . . . 15.0 110.803 -179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -74.25 101.59 1.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.577 2.184 . . . . 15.0 111.308 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' B' ' 58' ' ' ASN . 47.7 m-85 -101.18 165.2 11.42 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.777 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.465 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -121.59 174.93 6.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.993 -0.549 . . . . 15.0 110.717 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 20.0 t -118.58 115.92 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.949 -0.569 . . . . 15.0 109.945 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 1.2 p -79.67 173.44 12.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.37 -0.377 . . . . 15.0 111.469 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.24 -36.85 73.81 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.28 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 0.1 OUTLIER -60.28 -49.92 75.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.883 -0.599 . . . . 15.0 110.963 -179.49 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 6.5 m -71.99 -31.09 65.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.983 0.421 . . . . 15.0 110.729 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.614 HD21 HD21 ' B' ' 50' ' ' LEU . 12.1 mt -65.16 -41.17 94.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 15.0 112.045 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 11.1 ptmt -67.46 -24.17 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.57 0.224 . . . . 15.0 110.931 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -76.82 -26.27 54.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.344 . . . . 15.0 111.024 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.505 -0.76 . . . . 15.0 111.061 -179.619 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD3' ' OE1' ' A' ' 18' ' ' GLU . 12.2 Cg_exo . . . . . 0 N--CA 1.461 -0.406 0 CA-C-O 120.895 0.29 . . . . 15.0 111.784 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -94.33 -11.25 30.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.942 0.401 . . . . 15.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -109.34 131.13 55.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 15.0 109.919 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.576 ' HA ' HD11 ' A' ' 52' ' ' ILE . 30.7 tp -52.35 -48.22 90.27 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 113.8 1.037 . . . . 15.0 113.8 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.7 Cg_endo -49.66 -34.46 35.0 Favored 'Trans proline' 0 C--N 1.358 1.048 0 C-N-CA 122.84 2.36 . . . . 15.0 113.999 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -87.83 -30.31 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.104 -0.239 . . . . 15.0 111.347 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.514 HD22 HD13 ' A' ' 52' ' ' ILE . 9.8 tp -61.99 -37.77 86.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 15.0 110.543 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.51 ' SG ' HG12 ' A' ' 23' ' ' ILE . 23.8 m -62.31 -35.29 78.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.674 -0.694 . . . . 15.0 110.851 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -66.3 -40.59 90.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.461 . . . . 15.0 111.218 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.472 ' OE1' ' HD3' ' A' ' 9' ' ' PRO . 9.2 mt-10 -65.1 -34.73 79.11 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.001 0.429 . . . . 15.0 110.196 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.24 -0.2 51.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.888 -0.596 . . . . 15.0 110.933 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 59.87 37.84 21.52 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.045 -0.525 . . . . 15.0 111.527 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 t -135.63 -175.91 4.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.113 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 p -118.44 164.74 14.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.71 0.291 . . . . 15.0 111.203 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.51 HG12 ' SG ' ' A' ' 16' ' ' CYS . 8.0 mt -73.2 1.53 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 121.767 0.794 . . . . 15.0 110.119 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -102.43 1.06 34.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.487 -0.779 . . . . 15.0 110.819 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -136.62 -31.89 0.85 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.68 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.462 HG22 ' HA ' ' A' ' 23' ' ' ILE . 20.8 tt -64.49 122.08 14.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.514 0.673 . . . . 15.0 111.096 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.2 mm -111.34 106.68 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.971 -0.558 . . . . 15.0 110.192 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.9 156.13 16.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.119 -0.491 . . . . 15.0 109.951 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -107.61 158.32 17.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.147 -0.479 . . . . 15.0 110.085 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 46.1 t -69.35 143.07 53.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.222 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -73.76 -27.78 23.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.333 -0.394 . . . . 15.0 110.711 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -100.54 -57.54 2.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.173 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 m -69.72 -25.59 63.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.645 -0.252 . . . . 15.0 111.123 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 43.0 mttp 59.35 40.0 21.6 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.343 0.592 . . . . 15.0 110.711 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -119.44 152.94 36.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.542 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -70.49 123.67 22.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.887 0.375 . . . . 15.0 111.575 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.526 HD21 ' HA ' ' A' ' 63' ' ' CYS . 5.4 mp -83.89 133.38 34.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.791 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.529 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . 51.2 mt -72.93 157.6 37.11 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.105 -0.702 . . . . 15.0 109.105 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -57.37 -24.84 57.76 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.88 0.326 . . . . 15.0 111.88 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -60.1 -52.56 64.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.883 0.373 . . . . 15.0 110.621 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.529 ' OE1' ' HB2' ' A' ' 38' ' ' LEU . 1.2 pm0 -75.86 -23.84 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.395 -0.366 . . . . 15.0 110.873 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 38' ' ' LEU . 47.0 t -62.85 -43.63 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.459 -0.571 . . . . 15.0 109.459 178.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -71.14 -36.96 72.26 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.609 -0.515 . . . . 15.0 109.609 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -62.78 -36.95 84.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.315 -0.857 . . . . 15.0 109.831 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -67.75 -45.17 75.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.334 -0.848 . . . . 15.0 110.338 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.08 -13.18 60.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.728 -0.669 . . . . 15.0 111.829 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -72.45 -27.69 62.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.143 0.497 . . . . 15.0 110.282 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -104.52 162.2 13.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.009 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -81.79 62.27 5.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.465 0.65 . . . . 15.0 110.957 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.7 mt -92.06 174.41 7.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.468 -0.787 . . . . 15.0 109.874 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.5 m -132.96 157.91 43.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.851 0.358 . . . . 15.0 110.651 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.576 HD11 ' HA ' ' A' ' 12' ' ' LEU . 72.8 mt -80.71 134.73 26.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.825 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.8 t -99.32 127.15 52.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.883 -0.784 . . . . 15.0 108.883 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -100.3 109.16 21.36 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.184 0.516 . . . . 15.0 111.435 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.44 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 1.5 tmm_? -85.22 105.07 15.65 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.031 -0.729 . . . . 15.0 109.031 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.44 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 9.8 t70 72.47 -57.87 0.61 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.998 0.811 . . . . 15.0 111.432 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.13 34.74 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.536 -0.626 . . . . 15.0 111.536 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -142.64 137.36 15.21 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.687 -0.486 . . . . 15.0 109.687 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -68.02 123.06 10.21 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.764 2.309 . . . . 15.0 113.242 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -126.7 154.0 44.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.641 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.04 -177.08 3.16 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.128 0.489 . . . . 15.0 110.878 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.4 t -115.55 121.01 66.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.485 -0.78 . . . . 15.0 108.988 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.526 ' HA ' HD21 ' A' ' 37' ' ' LEU . 28.4 p -71.6 179.57 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.496 0.665 . . . . 15.0 111.907 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.44 -22.69 65.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.221 -0.9 . . . . 15.0 110.708 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -82.06 -56.68 3.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.513 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 58.4 m -66.83 -16.32 64.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.667 -0.697 . . . . 15.0 112.156 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.235 0.541 . . . . 15.0 112.125 -179.816 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 . . . . . 0 C--O 1.234 0.253 0 CA-C-O 121.208 0.528 . . . . 15.0 110.275 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.36 158.17 54.97 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.661 2.241 . . . . 15.0 112.561 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 -99.57 8.89 44.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.289 -0.414 . . . . 15.0 111.178 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -115.09 133.31 56.15 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.894 -0.409 . . . . 15.0 109.894 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.596 HD23 ' HB2' ' B' ' 46' ' ' ALA . 33.1 tp -54.57 -52.33 70.79 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 113.375 0.88 . . . . 15.0 113.375 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 10.0 Cg_endo -52.7 -39.77 75.53 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.238 1.959 . . . . 15.0 112.912 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -76.0 -33.81 59.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.543 -0.299 . . . . 15.0 110.917 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 tp -65.78 -35.43 80.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.011 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.9 m -59.41 -38.36 80.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.068 0.461 . . . . 15.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -28.82 67.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.05 -0.523 . . . . 15.0 111.7 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -68.71 -29.72 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 15.0 110.987 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.64 12.05 35.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 15.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 53.94 51.47 14.69 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.174 -0.466 . . . . 15.0 111.545 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -148.81 -176.72 5.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.667 0.27 . . . . 15.0 110.774 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.65 172.03 7.63 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.3 mt -56.62 -43.35 78.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 15.0 111.784 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.17 51.82 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.773 0.32 . . . . 15.0 111.569 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -168.86 -39.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.527 . . . . 15.0 110.069 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.3 tt -72.01 129.52 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.06 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 mm -113.73 131.67 64.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.314 -0.403 . . . . 15.0 111.252 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -122.76 149.69 43.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.93 -0.577 . . . . 15.0 109.82 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.33 156.62 16.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.199 -0.297 . . . . 15.0 110.199 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' CYS . . . . . 0.584 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 6.6 t -70.18 145.03 51.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.381 -0.372 . . . . 15.0 110.375 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.51 -31.59 54.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.501 -0.318 . . . . 15.0 111.422 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.424 ' HD2' ' SG ' ' B' ' 66' ' ' CYS . 35.2 m-85 -102.97 -71.92 0.71 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.674 0.25 . . . . 15.0 111.674 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 23.3 m -63.17 -27.48 69.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.09 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.584 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 40.9 mttp 63.85 29.64 14.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.626 -0.715 . . . . 15.0 111.207 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.406 ' H ' ' HB3' ' B' ' 30' ' ' CYS . 23.5 pt20 -80.14 150.49 30.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.169 -0.678 . . . . 15.0 109.169 178.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -77.59 103.79 7.74 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.112 -0.329 . . . . 15.0 110.112 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -61.58 122.91 16.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 15.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 42' ' ' VAL . 51.6 mt -73.24 168.26 19.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.666 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -54.13 -28.92 42.91 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.264 -0.426 . . . . 15.0 111.966 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' B' ' 40' ' ' ARG . 6.6 ttp85 -68.62 -47.22 67.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.763 0.316 . . . . 15.0 110.47 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -65.57 -41.96 92.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 15.0 110.332 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 38' ' ' LEU . 40.0 t -62.97 -38.41 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 115.914 -0.585 . . . . 15.0 110.503 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -39.6 86.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.004 -0.544 . . . . 15.0 110.553 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -36.5 82.03 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.559 -0.534 . . . . 15.0 109.559 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -68.14 -46.0 72.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.467 -0.788 . . . . 15.0 110.433 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.596 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -71.85 -15.53 62.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.43 -178.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -67.52 -19.87 65.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.919 0.39 . . . . 15.0 111.455 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -133.8 175.63 9.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.144 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -92.53 86.09 5.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.31 0.576 . . . . 15.0 110.143 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 mt -112.83 147.68 36.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.706 -0.679 . . . . 15.0 110.38 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.21 141.14 28.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.836 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 64.7 mt -80.59 136.16 23.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.055 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.2 m -90.49 123.78 42.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.228 0.537 . . . . 15.0 110.195 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -99.2 111.98 24.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.141 -0.481 . . . . 15.0 110.673 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.487 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -97.81 109.99 22.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.053 -0.721 . . . . 15.0 109.053 179.237 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.487 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 21.3 t70 75.9 -39.78 0.38 Allowed 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.91 0.757 . . . . 15.0 111.54 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.18 -19.12 0.1 Allowed Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.517 -0.633 . . . . 15.0 111.517 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -85.81 141.39 35.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 110.297 -0.26 . . . . 15.0 110.297 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.81 110.49 3.09 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.428 2.085 . . . . 15.0 111.979 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -108.29 152.51 24.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.066 -0.516 . . . . 15.0 110.157 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.87 165.18 11.64 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.084 0.469 . . . . 15.0 111.276 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 t -102.78 112.09 34.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.52 -0.764 . . . . 15.0 109.135 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 17.9 p -75.9 176.0 8.27 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.164 0.507 . . . . 15.0 111.679 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.25 -34.57 68.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.279 -0.873 . . . . 15.0 110.928 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -68.75 -55.29 11.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.758 -0.656 . . . . 15.0 110.993 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' CYS . . . . . 0.424 ' SG ' ' HD2' ' B' ' 32' ' ' TYR . 36.2 m -70.27 -24.25 63.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.092 -0.504 . . . . 15.0 112.197 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.2 -47.65 82.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 15.0 111.781 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.525 ' HG2' ' H ' ' B' ' 68' ' ' LYS . 2.9 ptpt -80.38 -23.83 40.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.163 -0.471 . . . . 15.0 111.398 -178.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -78.64 -43.96 24.94 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.309 0.485 . . . . 15.0 112.309 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 119.001 -0.523 . . . . 15.0 110.995 -179.28 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo . . . . . 0 CA--C 1.53 0.276 0 CA-C-O 120.59 0.163 . . . . 15.0 111.704 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -108.55 7.33 26.7 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.056 0.391 . . . . 15.0 112.056 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -119.81 139.45 52.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.609 -0.269 . . . . 15.0 111.195 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.5 ' HA ' HD11 ' A' ' 52' ' ' ILE . 30.8 tp -57.68 -53.16 68.57 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 116.027 -0.533 . . . . 15.0 112.426 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.2 Cg_endo -55.42 -39.31 91.76 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.979 1.786 . . . . 15.0 112.065 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -71.08 -43.62 67.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 15.0 110.353 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.8 tp -58.1 -46.41 85.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.032 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.8 m -59.1 -45.91 89.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.033 0.444 . . . . 15.0 110.267 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.1 m -62.04 -42.33 99.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.736 -0.665 . . . . 15.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.65 -29.83 68.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.937 0.398 . . . . 15.0 110.823 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.85 -0.12 37.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.854 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 65.82 32.34 8.85 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.883 -0.599 . . . . 15.0 110.885 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.52 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 14.1 t -140.65 -170.03 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.386 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.5 p -120.05 178.19 4.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.809 0.338 . . . . 15.0 110.652 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -76.23 3.44 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.425 0.631 . . . . 15.0 111.203 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -109.76 2.18 19.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.266 -0.425 . . . . 15.0 110.209 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.52 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 33.9 t70 -132.92 -19.61 2.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 15.0 111.664 -178.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.0 tt -59.9 131.76 24.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 121.198 0.523 . . . . 15.0 111.282 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.8 mm -103.02 108.44 24.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.927 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.1 mp -127.42 146.52 50.45 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.992 -0.374 . . . . 15.0 109.992 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 5.2 pt-20 -116.91 162.2 18.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.852 0.358 . . . . 15.0 111.213 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 45.1 t -70.02 144.03 52.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.668 . . . . 15.0 111.043 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.439 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 7.5 p -78.51 -24.34 13.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.407 -0.815 . . . . 15.0 110.958 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -100.64 -44.0 5.98 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.001 0.371 . . . . 15.0 112.001 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.5 m -88.8 -19.56 25.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.288 0.477 . . . . 15.0 112.288 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.4 tptp 61.13 31.91 19.65 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.798 0.809 . . . . 15.0 109.929 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.68 135.58 53.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.184 -0.916 . . . . 15.0 109.898 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.483 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 24.4 mp0 -60.43 131.8 51.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.905 0.383 . . . . 15.0 111.088 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -80.4 148.4 30.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.957 -0.565 . . . . 15.0 110.429 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.635 ' HB2' ' OE2' ' A' ' 41' ' ' GLU . 78.2 mt -86.77 162.77 17.66 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.539 -0.541 . . . . 15.0 109.539 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 39' ' ' ARG . 13.7 ttm180 -57.93 -20.51 38.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.906 0.706 . . . . 15.0 112.906 -178.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.411 ' H ' ' HG3' ' A' ' 40' ' ' ARG . 1.9 mtm180 -73.02 -52.17 15.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.931 0.396 . . . . 15.0 110.846 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.635 ' OE2' ' HB2' ' A' ' 38' ' ' LEU . 1.7 pm0 -70.26 -26.37 63.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.154 -0.475 . . . . 15.0 110.787 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 38' ' ' LEU . 82.7 t -64.72 -36.65 78.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 108.727 -0.842 . . . . 15.0 108.727 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -64.76 -41.63 95.74 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.457 -0.792 . . . . 15.0 109.435 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -61.09 -38.0 84.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.382 -0.827 . . . . 15.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -62.41 -35.49 79.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.49 -23.35 24.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.28 -0.418 . . . . 15.0 111.406 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -76.15 -27.19 56.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.263 0.554 . . . . 15.0 110.556 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -107.16 165.33 11.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.187 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -84.48 93.22 8.27 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.489 -0.56 . . . . 15.0 109.489 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.7 mt -140.99 157.57 45.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.972 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.9 m -116.96 160.78 20.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.763 -0.653 . . . . 15.0 109.658 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' A' ' 12' ' ' LEU . 16.9 mt -81.21 135.89 24.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.667 0.27 . . . . 15.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -91.5 113.56 27.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.081 -0.711 . . . . 15.0 109.081 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -99.61 110.1 22.56 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.243 -0.435 . . . . 15.0 111.509 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.5 mmm-85 -107.93 118.56 37.06 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 73.49 -17.93 0.41 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.984 0.802 . . . . 15.0 111.844 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 132.41 -7.71 5.32 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.844 -0.693 . . . . 15.0 112.292 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.448 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 41.5 m-80 -94.12 145.32 29.57 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 110.334 -0.247 . . . . 15.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 5.2 Cg_exo -78.31 113.69 3.41 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.643 2.228 . . . . 15.0 112.285 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.439 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 78.3 m-85 -116.96 140.67 49.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.043 0.449 . . . . 15.0 110.304 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -108.77 179.98 4.03 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 4.4 t -121.72 117.75 53.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.053 -0.721 . . . . 15.0 109.053 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.59 173.35 9.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.961 0.41 . . . . 15.0 111.146 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -54.99 -37.03 66.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.61 -0.723 . . . . 15.0 111.773 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -59.35 5.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.862 -0.608 . . . . 15.0 112.033 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.461 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -71.81 -27.64 63.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.433 0.531 . . . . 15.0 112.433 -178.243 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.329 -0.324 0 N-CA-C 112.148 0.425 . . . . 15.0 112.148 -179.801 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 120.512 0.196 . . . . 15.0 110.484 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.6 176.95 9.42 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.49 2.127 . . . . 15.0 112.294 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 60.5 mmt-85 -108.12 0.96 21.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.273 -0.421 . . . . 15.0 110.373 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -99.82 119.9 38.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.758 -0.655 . . . . 15.0 109.946 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 22.5 tp -55.76 -50.67 85.76 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 112.855 0.687 . . . . 15.0 112.855 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.3 Cg_endo -54.83 -34.54 85.64 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.222 1.948 . . . . 15.0 112.856 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -83.15 -29.67 28.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.321 . . . . 15.0 110.708 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.443 HD22 HD13 ' B' ' 52' ' ' ILE . 24.8 tp -63.38 -35.49 80.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.271 0.558 . . . . 15.0 110.024 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 35.2 m -63.55 -40.14 96.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.707 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -60.37 -39.61 87.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.316 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.73 -22.99 62.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.137 0.494 . . . . 15.0 111.058 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.0 mt -96.58 5.05 51.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.951 -0.568 . . . . 15.0 110.286 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 59.56 37.13 22.82 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.693 -0.685 . . . . 15.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.428 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 14.6 t -140.61 -171.7 3.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.165 -0.47 . . . . 15.0 110.789 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.9 p -126.49 177.77 6.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.46 -0.337 . . . . 15.0 110.633 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 10.3 mt -71.53 -7.13 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.648 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -96.11 -8.5 33.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 15.0 111.191 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.428 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 13.6 t70 -124.42 -36.97 2.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.018 0.377 . . . . 15.0 112.018 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -47.7 129.05 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 121.192 0.52 . . . . 15.0 111.668 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 31.8 mm -106.55 116.27 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.704 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.471 HD23 ' HB2' ' B' ' 61' ' ' ALA . 2.2 mp -123.33 144.56 49.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 15.0 109.399 178.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -110.7 164.88 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.499 -0.319 . . . . 15.0 110.16 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 52.8 t -67.79 140.16 56.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.327 . . . . 15.0 110.518 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.8 p -71.96 -20.42 20.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.469 -0.332 . . . . 15.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -104.3 -51.19 3.17 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.991 0.367 . . . . 15.0 111.991 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 57.3 m -82.98 -24.61 32.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.688 -0.233 . . . . 15.0 111.533 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 2.4 mptm? 65.34 21.71 11.97 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.711 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -98.12 154.53 17.67 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.627 -0.508 . . . . 15.0 109.627 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -64.39 127.92 33.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.894 0.378 . . . . 15.0 111.161 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.48 142.43 37.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.64 . . . . 15.0 110.963 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.476 ' O ' HG23 ' B' ' 42' ' ' VAL . 45.4 mt -72.95 142.29 47.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.921 -0.77 . . . . 15.0 108.921 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -54.1 -34.94 61.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 15.0 111.497 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -62.28 -41.29 98.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 15.0 110.97 179.288 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -72.95 -27.77 62.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.345 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 38' ' ' LEU . 60.2 t -63.04 -34.55 67.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 109.385 -0.598 . . . . 15.0 109.385 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' TYR . . . . . 0.497 ' O ' ' HB2' ' B' ' 47' ' ' PHE . 25.7 m-85 -68.97 -37.03 78.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.062 179.056 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -66.29 -39.35 89.32 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.333 0.587 . . . . 15.0 109.793 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -61.86 -42.37 98.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.38 -0.827 . . . . 15.0 110.642 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.29 -13.05 53.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 15.0 111.226 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' PHE . . . . . 0.497 ' HB2' ' O ' ' B' ' 43' ' ' TYR . 11.1 t80 -77.52 -44.93 27.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.485 . . . . 15.0 109.985 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.458 HH22 ' HB3' ' B' ' 67' ' ' LEU . 6.1 mtt180 -88.38 -160.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.659 -0.7 . . . . 15.0 109.881 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -117.27 89.38 3.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.219 0.533 . . . . 15.0 110.23 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -132.56 138.3 47.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.593 -0.73 . . . . 15.0 109.537 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 56.9 m -91.19 161.35 15.11 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.199 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.443 HD13 HD22 ' B' ' 15' ' ' LEU . 65.5 mt -79.36 129.04 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.904 0.383 . . . . 15.0 110.777 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.78 113.83 27.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.619 -0.719 . . . . 15.0 110.014 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -94.88 109.91 21.85 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.56 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.25 102.85 14.89 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.805 -0.813 . . . . 15.0 108.805 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 t0 68.27 -83.91 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.918 -1.037 . . . . 15.0 111.403 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.61 20.26 3.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.441 -0.885 . . . . 15.0 112.809 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -133.21 134.14 23.8 Favored Pre-proline 0 C--N 1.323 -0.572 0 O-C-N 122.535 -0.391 . . . . 15.0 110.988 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.86 122.61 9.26 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.697 2.265 . . . . 15.0 112.558 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -122.84 163.39 20.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.138 -0.483 . . . . 15.0 109.885 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.471 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -118.87 -172.35 2.27 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.163 0.506 . . . . 15.0 110.804 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 6.7 t -115.52 120.76 65.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.756 -0.656 . . . . 15.0 109.576 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 28.2 p -78.83 169.64 17.91 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.118 -0.233 . . . . 15.0 110.728 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -48.48 -37.04 16.34 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.608 0.596 . . . . 15.0 112.608 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.4 -59.69 4.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.618 -0.265 . . . . 15.0 111.45 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -28.11 61.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.459 -0.337 . . . . 15.0 111.762 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.458 ' HB3' HH22 ' B' ' 48' ' ' ARG . 8.4 mt -52.21 -47.3 65.72 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.675 0.62 . . . . 15.0 112.675 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.407 ' H ' ' HG2' ' B' ' 68' ' ' LYS . 24.9 pttt -81.27 -24.85 37.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.61 0.243 . . . . 15.0 111.646 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -78.03 -27.97 48.95 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.416 0.525 . . . . 15.0 112.416 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 117.935 -1.031 . . . . 15.0 111.483 -178.98 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.23 0.109 0 CA-C-O 120.882 0.284 . . . . 15.0 112.341 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 51' ' ' CYS . 25.4 mmt180 -91.08 -18.82 23.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.303 -0.408 . . . . 15.0 111.13 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -85.16 131.31 34.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.64 0.257 . . . . 15.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 59.4 tp -56.18 -50.59 86.62 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.972 -0.558 . . . . 15.0 111.961 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.2 Cg_endo -54.98 -35.16 89.21 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.125 1.883 . . . . 15.0 112.338 179.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -69.48 -44.81 70.4 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.396 -0.365 . . . . 15.0 110.604 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.61 HD22 HD13 ' A' ' 52' ' ' ILE . 34.1 tp -57.83 -34.39 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.955 -0.387 . . . . 15.0 109.955 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.8 m -64.26 -49.72 70.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.706 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 p -66.04 -40.45 90.98 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.872 0.367 . . . . 15.0 111.342 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.33 -32.62 71.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.273 -0.422 . . . . 15.0 111.047 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.561 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -84.62 -4.31 58.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.862 0.363 . . . . 15.0 110.25 179.341 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 63.46 46.3 4.39 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.466 -0.788 . . . . 15.0 110.823 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.436 HG22 ' HB3' ' A' ' 19' ' ' LEU . 12.9 t -152.03 -170.7 3.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.999 -0.546 . . . . 15.0 110.447 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -123.73 -179.86 4.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.708 0.289 . . . . 15.0 111.081 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.421 ' H ' HG13 ' A' ' 23' ' ' ILE . 3.4 mt -73.08 0.16 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 15.0 111.336 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -105.13 -5.64 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.757 0.313 . . . . 15.0 111.043 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.407 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 31.8 t70 -133.77 -8.77 2.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.963 0.411 . . . . 15.0 111.515 -178.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 tt -63.19 121.36 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.61 0.719 . . . . 15.0 111.545 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.5 mm -84.64 94.66 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.687 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.547 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.2 tp -122.99 128.19 49.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.728 -0.669 . . . . 15.0 109.641 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -115.37 171.68 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.94 -0.573 . . . . 15.0 110.599 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 39.3 t -67.43 142.26 56.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.321 0.581 . . . . 15.0 111.055 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.43 -20.54 12.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.617 -0.72 . . . . 15.0 110.524 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -101.57 -70.7 0.74 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.674 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.6 m -73.17 -14.38 61.35 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.342 0.497 . . . . 15.0 112.342 -177.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 39.1 mmtm 64.84 22.36 12.5 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.579 0.549 . . . . 15.0 111.784 178.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.405 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 6.5 pt20 -88.04 142.95 27.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.626 -0.509 . . . . 15.0 109.626 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -72.54 126.06 28.95 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.184 -0.302 . . . . 15.0 110.184 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.37 145.69 54.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.013 -0.54 . . . . 15.0 111.467 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.7 tp -82.66 162.0 21.99 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.383 -0.599 . . . . 15.0 109.383 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.466 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 12.2 ttp85 -47.19 -41.68 18.49 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 122.805 0.442 . . . . 15.0 112.168 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -68.21 -46.51 70.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.618 -0.264 . . . . 15.0 111.659 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.535 ' OE1' ' HB3' ' A' ' 38' ' ' LEU . 9.1 mp0 -58.7 -36.98 75.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.101 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 38' ' ' LEU . 16.3 t -65.74 -38.05 81.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.018 0.437 . . . . 15.0 110.005 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.453 ' HE2' ' NH1' ' A' ' 39' ' ' ARG . 21.6 m-30 -71.4 -33.97 69.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 15.0 109.828 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.89 -30.33 71.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.471 0.653 . . . . 15.0 109.81 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.97 -38.04 72.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.946 -1.025 . . . . 15.0 110.5 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.91 -24.09 59.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.401 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.412 ' HZ ' ' HB3' ' B' ' 46' ' ' ALA . 0.2 OUTLIER -74.26 -20.31 60.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.786 -179.603 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.0 mtt85 -111.93 168.39 9.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.59 -0.277 . . . . 15.0 110.359 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.2 -4.07 58.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.952 0.406 . . . . 15.0 110.797 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.5 109.21 0.47 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.59 -0.732 . . . . 15.0 111.109 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 29.5 p -68.98 -171.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 15.0 111.767 -178.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.61 HD13 HD22 ' A' ' 15' ' ' LEU . 29.7 mt -87.9 140.03 16.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.633 -0.712 . . . . 15.0 109.684 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -103.07 113.55 40.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.412 0.625 . . . . 15.0 109.853 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -94.97 111.51 23.3 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.699 -0.682 . . . . 15.0 111.377 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.39 110.82 23.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.988 -0.745 . . . . 15.0 108.988 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t0 70.09 -73.16 0.1 Allowed 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.972 0.795 . . . . 15.0 110.496 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.39 22.31 0.22 Allowed Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.212 -0.755 . . . . 15.0 111.212 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -118.75 131.81 24.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.473 0.177 . . . . 15.0 111.127 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -76.32 103.24 1.71 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.595 2.196 . . . . 15.0 111.496 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -115.72 168.21 10.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.46 0.648 . . . . 15.0 111.028 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.547 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -126.39 -168.44 1.86 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.481 -0.781 . . . . 15.0 109.908 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 47.2 t -135.69 120.26 26.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.763 -0.458 . . . . 15.0 109.763 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.61 174.14 10.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.931 0.396 . . . . 15.0 110.862 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -50.87 -33.74 25.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.978 1.103 . . . . 15.0 113.978 -177.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -62.98 1.42 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.748 -0.381 . . . . 15.0 111.697 -177.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.476 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -76.28 -25.78 55.26 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.057 0.391 . . . . 15.0 112.057 -179.132 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 16.7 tp . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 112.762 0.652 . . . . 15.0 112.762 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 120.94 0.4 . . . . 15.0 111.515 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.79 165.06 33.81 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.618 2.212 . . . . 15.0 112.154 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.88 7.61 41.17 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.941 0.348 . . . . 15.0 111.941 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -119.43 131.16 55.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.747 0.308 . . . . 15.0 110.691 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.585 ' HA ' HD11 ' B' ' 52' ' ' ILE . 28.6 tp -54.39 -51.27 79.5 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 113.29 0.848 . . . . 15.0 113.29 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.6 Cg_endo -54.2 -33.98 77.18 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.249 1.966 . . . . 15.0 112.554 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -81.89 -27.49 33.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.712 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.537 HD22 HD13 ' B' ' 52' ' ' ILE . 42.7 tp -68.4 -33.95 75.16 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 179.084 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' CYS . . . . . 0.602 ' SG ' HG12 ' B' ' 23' ' ' ILE . 39.0 m -61.15 -35.28 76.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.538 -0.755 . . . . 15.0 110.095 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -33.87 76.58 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.722 -0.672 . . . . 15.0 110.659 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.82 -32.77 74.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.329 0.585 . . . . 15.0 109.653 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 mt -88.54 1.67 54.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.446 -0.797 . . . . 15.0 110.088 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 55.76 39.83 30.77 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.66 -0.7 . . . . 15.0 111.033 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -143.45 -173.51 3.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.065 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -105.2 171.94 7.05 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.491 0.186 . . . . 15.0 110.686 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.602 HG12 ' SG ' ' B' ' 16' ' ' CYS . 10.4 mt -68.2 -12.93 16.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.644 0.735 . . . . 15.0 110.145 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -83.28 -5.11 59.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.36 -0.836 . . . . 15.0 111.479 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -128.99 -10.64 4.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.898 0.38 . . . . 15.0 111.834 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 20.5 tt -69.73 134.84 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.268 0.556 . . . . 15.0 110.987 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -117.16 113.45 42.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.576 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -127.88 145.57 50.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.405 -0.361 . . . . 15.0 110.032 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -107.69 160.57 15.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.704 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.65 141.9 57.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.948 0.404 . . . . 15.0 110.779 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.401 ' HA ' ' CD2' ' B' ' 60' ' ' TYR . 5.2 p -65.04 -33.43 63.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.441 -0.8 . . . . 15.0 112.108 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -110.2 -36.88 5.71 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.714 0.635 . . . . 15.0 112.714 -178.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 m -83.88 -20.77 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.741 0.305 . . . . 15.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 mptt 59.79 24.36 13.33 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.97 -0.559 . . . . 15.0 111.102 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -100.19 139.01 36.48 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.402 -0.592 . . . . 15.0 109.402 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -66.2 125.74 26.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.991 0.424 . . . . 15.0 110.539 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -75.41 129.48 37.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.846 -0.616 . . . . 15.0 110.439 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 54.8 mt -64.21 141.13 58.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.742 -0.466 . . . . 15.0 109.742 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' B' ' 40' ' ' ARG . 0.2 OUTLIER -45.01 -38.96 5.2 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.762 0.652 . . . . 15.0 112.762 -178.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.402 ' N ' ' HG3' ' B' ' 39' ' ' ARG . 13.9 ttp180 -61.8 -48.42 80.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.671 0.272 . . . . 15.0 111.493 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.48 -31.71 70.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 15.0 110.379 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.11 -37.69 74.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.815 -0.63 . . . . 15.0 110.959 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -70.08 -33.92 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 15.0 110.646 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -27.42 63.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.166 0.508 . . . . 15.0 109.856 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -68.02 -37.87 81.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.287 -0.869 . . . . 15.0 110.041 178.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.502 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -83.96 -23.97 30.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.864 -0.607 . . . . 15.0 111.242 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.09 -22.6 60.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.361 0.601 . . . . 15.0 109.763 179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -102.97 155.14 18.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.507 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -80.8 78.87 7.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.321 0.582 . . . . 15.0 110.909 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mp -114.51 179.59 3.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.02 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 1.1 p -131.18 154.41 48.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.502 -0.317 . . . . 15.0 110.477 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.585 HD11 ' HA ' ' B' ' 12' ' ' LEU . 51.1 mt -82.18 127.67 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.442 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' B' ' 60' ' ' TYR . 0.0 OUTLIER -91.2 112.88 25.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 116.011 -0.541 . . . . 15.0 109.997 179.192 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -94.34 110.9 22.63 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.224 0.535 . . . . 15.0 110.396 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -105.31 107.09 17.9 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.541 -0.754 . . . . 15.0 109.406 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.1 t0 70.08 22.96 5.47 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.655 -0.702 . . . . 15.0 111.013 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.04 -25.74 20.44 Favored Glycine 0 CA--C 1.51 -0.226 0 C-N-CA 120.886 -0.674 . . . . 15.0 113.032 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -75.0 140.76 74.08 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.712 0.291 . . . . 15.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.85 119.78 6.27 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.521 2.147 . . . . 15.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 71.7 m-85 -125.32 155.12 40.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.888 -0.596 . . . . 15.0 109.727 179.373 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.93 179.21 4.05 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.187 -0.46 . . . . 15.0 109.986 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 14.1 t -114.7 115.61 50.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.635 -0.505 . . . . 15.0 109.635 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 27.4 p -72.3 170.21 14.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.135 -0.32 . . . . 15.0 110.135 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.535 ' O ' ' HE2' ' B' ' 68' ' ' LYS . 31.3 t70 -57.84 -32.9 68.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.8 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -70.62 -57.09 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.759 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' CYS . . . . . 0.549 ' HA ' ' HB2' ' B' ' 69' ' ' PHE . 69.3 m -65.66 -26.22 67.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.517 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 0.3 OUTLIER -52.24 -55.0 24.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 15.0 111.316 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.535 ' HE2' ' O ' ' B' ' 64' ' ' ASP . 4.0 pttt -80.98 -12.88 59.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.005 -0.543 . . . . 15.0 111.428 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' PHE . . . . . 0.549 ' HB2' ' HA ' ' B' ' 66' ' ' CYS . 1.8 m-85 -76.76 -49.02 16.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.755 0.312 . . . . 15.0 111.531 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.428 -0.796 . . . . 15.0 111.408 -178.473 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo . . . . . 0 N--CA 1.46 -0.489 0 CA-C-O 120.753 0.23 . . . . 15.0 111.537 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -88.17 -1.27 57.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.696 -0.229 . . . . 15.0 111.344 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -110.74 130.34 55.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.9 0.381 . . . . 15.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.584 HD23 ' HB2' ' A' ' 46' ' ' ALA . 19.6 tp -55.18 -49.57 91.54 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.539 -0.755 . . . . 15.0 112.825 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 9.7 Cg_endo -53.2 -33.74 66.11 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.301 2.001 . . . . 15.0 112.733 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -85.13 -30.5 23.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.574 -0.285 . . . . 15.0 111.01 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.651 HD22 HD13 ' A' ' 52' ' ' ILE . 39.5 tp -61.05 -37.82 83.96 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.163 0.506 . . . . 15.0 110.368 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.694 ' SG ' HG12 ' A' ' 23' ' ' ILE . 47.1 m -60.3 -33.95 73.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.49 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.5 m -67.65 -40.41 84.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.136 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.0 -40.4 87.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.607 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.41 -3.5 50.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 15.0 110.942 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 59.57 50.13 7.71 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.93 -0.577 . . . . 15.0 111.334 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -155.15 -174.01 4.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.403 -0.362 . . . . 15.0 110.303 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.8 p -107.74 169.07 8.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 15.0 111.198 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.694 HG12 ' SG ' ' A' ' 16' ' ' CYS . 1.9 mt -75.38 1.71 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.308 0.575 . . . . 15.0 110.643 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -108.0 9.07 28.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.989 -0.55 . . . . 15.0 110.157 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -132.98 -37.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 15.0 111.624 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.6 tt -65.06 128.4 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.509 0.671 . . . . 15.0 112.253 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.1 119.78 62.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.021 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -106.32 160.95 14.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.73 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -118.98 153.88 33.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.014 -0.539 . . . . 15.0 109.666 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 37.9 t -67.43 145.16 55.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.127 0.489 . . . . 15.0 111.271 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.499 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 7.5 p -71.96 -29.84 34.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.62 -0.718 . . . . 15.0 111.664 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -103.37 -46.12 4.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.171 0.434 . . . . 15.0 112.171 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.09 -25.49 36.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.715 0.265 . . . . 15.0 111.715 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.1 mptt 63.5 22.21 13.1 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.192 0.52 . . . . 15.0 111.265 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -95.82 147.43 23.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.0 -0.546 . . . . 15.0 109.788 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -73.31 126.97 31.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.998 0.427 . . . . 15.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.56 138.98 43.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.788 -0.642 . . . . 15.0 109.781 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.7 mt -74.7 157.86 34.55 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.071 -0.513 . . . . 15.0 109.983 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -52.76 -35.01 55.65 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.983 0.42 . . . . 15.0 110.974 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -63.99 -39.99 95.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.348 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.12 -33.22 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 15.0 110.93 -178.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.1 t -57.48 -40.58 75.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.746 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -70.97 -35.04 71.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -67.22 -38.67 85.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.194 0.521 . . . . 15.0 109.783 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -65.84 -35.09 79.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.324 -0.853 . . . . 15.0 110.93 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -82.93 -33.63 26.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.826 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -69.23 -35.87 76.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.902 0.382 . . . . 15.0 110.669 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -90.14 155.01 19.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.389 -0.597 . . . . 15.0 109.389 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -82.08 79.81 8.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.511 0.672 . . . . 15.0 110.568 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mp -112.79 171.44 7.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.506 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 68.7 m -129.76 149.56 51.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.908 0.385 . . . . 15.0 110.739 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.651 HD13 HD22 ' A' ' 15' ' ' LEU . 65.4 mt -84.2 136.51 22.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.754 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.468 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -111.89 119.64 60.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.968 -0.56 . . . . 15.0 109.567 179.441 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -94.78 110.26 22.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.964 0.411 . . . . 15.0 111.163 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -84.17 114.05 21.51 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.613 -0.884 . . . . 15.0 108.613 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.0 t70 71.45 -71.01 0.14 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.024 0.827 . . . . 15.0 110.734 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.07 44.03 0.18 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.305 -0.718 . . . . 15.0 111.305 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.411 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 1.3 m-20 -142.33 147.64 44.34 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 110.099 -0.334 . . . . 15.0 110.099 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.411 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 57.8 Cg_endo -73.85 109.76 2.94 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.333 2.022 . . . . 15.0 112.326 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.499 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 59.8 m-85 -116.58 139.75 50.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.914 -0.585 . . . . 15.0 109.52 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.91 -176.07 2.94 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.352 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 t -115.15 118.15 57.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.034 -0.53 . . . . 15.0 109.575 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 24.6 p -74.02 174.85 8.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.399 -0.364 . . . . 15.0 110.068 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.2 -15.66 63.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.046 0.451 . . . . 15.0 110.206 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.44 ' HB2' ' SG ' ' A' ' 63' ' ' CYS . 3.7 mtpm? -78.63 -57.17 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 15.0 109.752 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 33.8 m -72.95 -15.18 61.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.651 -0.704 . . . . 15.0 111.617 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 5.5 tp . . . . . 0 CA--C 1.536 0.412 0 CA-C-N 115.687 -0.688 . . . . 15.0 112.265 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.467 ' HB3' ' OH ' ' B' ' 54' ' ' TYR . 15.0 mtm180 . . . . . 0 C--O 1.234 0.27 0 CA-C-O 120.908 0.385 . . . . 15.0 111.155 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -65.21 152.18 83.0 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.595 2.197 . . . . 15.0 111.638 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -92.03 18.97 7.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.856 0.36 . . . . 15.0 111.306 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -122.87 128.62 50.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.967 -0.561 . . . . 15.0 109.899 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.49 HD21 HG13 ' B' ' 42' ' ' VAL . 7.1 tp -52.49 -51.88 68.73 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 113.864 1.061 . . . . 15.0 113.864 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 7.5 Cg_endo -52.16 -45.57 38.31 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.198 1.932 . . . . 15.0 112.718 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -72.26 -28.65 63.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.753 0.311 . . . . 15.0 111.252 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 tp -69.01 -34.21 74.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 15.0 110.276 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 62.3 m -59.49 -35.28 73.81 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.912 -0.585 . . . . 15.0 110.704 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -30.17 69.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.217 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -71.24 -34.6 70.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.424 0.631 . . . . 15.0 109.792 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 mt -86.7 -1.76 57.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.232 -0.894 . . . . 15.0 110.697 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 60.48 38.64 19.03 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.646 -0.706 . . . . 15.0 111.532 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.405 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 14.8 t -139.62 -169.97 2.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.101 -0.499 . . . . 15.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -115.86 175.58 5.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.491 -0.322 . . . . 15.0 110.885 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 20.9 mt -72.67 -7.46 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.37 0.605 . . . . 15.0 111.263 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -99.31 -4.89 30.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.157 -0.34 . . . . 15.0 110.798 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.405 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 34.3 t70 -129.28 -10.67 4.66 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 111.892 0.331 . . . . 15.0 111.892 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 11.2 tt -65.16 122.2 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.327 0.584 . . . . 15.0 110.915 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.0 mm -106.21 105.82 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.949 -0.569 . . . . 15.0 110.473 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tp -123.32 138.18 54.67 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -97.71 166.2 11.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.99 0.424 . . . . 15.0 111.2 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 41.5 t -73.93 144.07 45.45 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.599 -0.728 . . . . 15.0 109.925 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.794 HG13 ' HD1' ' B' ' 32' ' ' TYR . 2.5 p -71.43 -24.52 23.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.758 -0.655 . . . . 15.0 111.13 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.794 ' HD1' HG13 ' B' ' 31' ' ' VAL . 26.0 m-85 -108.2 -55.16 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.726 0.269 . . . . 15.0 111.726 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 12.1 m -70.28 -23.2 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 15.0 111.79 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 60.23 30.26 19.71 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.995 0.426 . . . . 15.0 111.637 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -111.57 151.51 28.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.009 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -70.12 127.36 32.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.648 -0.251 . . . . 15.0 110.706 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 mp -77.04 136.42 38.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.297 -0.41 . . . . 15.0 110.036 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.469 ' O ' ' HG2' ' B' ' 41' ' ' GLU . 10.2 mp -81.03 169.68 17.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.948 0.404 . . . . 15.0 110.98 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -56.67 -26.68 57.07 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.912 -0.585 . . . . 15.0 112.379 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -67.91 -52.17 39.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.791 0.329 . . . . 15.0 111.424 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' B' ' 38' ' ' LEU . 1.3 pm0 -71.47 -34.34 70.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.411 -0.359 . . . . 15.0 110.977 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.49 HG13 HD21 ' B' ' 12' ' ' LEU . 60.4 t -61.88 -40.55 87.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.48 -45.71 89.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.582 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ASP . . . . . 0.429 ' CG ' HH21 ' B' ' 48' ' ' ARG . 4.5 t0 -59.69 -40.37 87.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.762 -0.654 . . . . 15.0 110.919 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.403 ' HB3' HD22 ' B' ' 12' ' ' LEU . 5.2 t80 -65.59 -33.46 75.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.84 -0.618 . . . . 15.0 111.478 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.76 -33.78 22.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.776 0.322 . . . . 15.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -69.36 -47.21 65.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.572 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.429 HH21 ' CG ' ' B' ' 44' ' ' ASP . 27.5 mtm180 -90.14 136.3 33.13 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.622 -0.51 . . . . 15.0 109.622 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -71.44 89.78 0.95 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.053 0.454 . . . . 15.0 111.067 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.602 HD21 HD21 ' B' ' 67' ' ' LEU . 1.1 mp -111.12 -177.88 3.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.751 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 27.9 m -121.7 138.08 54.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 72.9 mt -80.99 132.09 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.306 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.517 HG21 HG11 ' B' ' 31' ' ' VAL . 1.4 m -91.62 136.04 25.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.049 -0.523 . . . . 15.0 109.669 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' B' ' 59' ' ' PRO . 30.9 m-85 -111.05 110.19 20.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.831 0.348 . . . . 15.0 111.457 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.54 103.16 12.66 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.557 -0.905 . . . . 15.0 108.557 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 68.96 -64.27 0.33 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.223 0.952 . . . . 15.0 110.649 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -155.48 -1.72 0.12 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.965 -0.561 . . . . 15.0 112.298 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -102.42 128.24 28.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.723 0.297 . . . . 15.0 111.381 -179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' B' ' 54' ' ' TYR . 60.2 Cg_endo -77.7 116.27 4.0 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.696 2.264 . . . . 15.0 112.177 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -122.91 164.79 17.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.878 0.37 . . . . 15.0 110.149 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.11 169.2 8.7 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.017 0.437 . . . . 15.0 110.791 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 t -104.42 118.76 52.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' CYS . . . . . 0.68 ' SG ' ' HE3' ' B' ' 65' ' ' LYS . 30.8 p -72.74 172.41 10.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.08 0.467 . . . . 15.0 110.785 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.97 -15.95 62.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.81 -0.632 . . . . 15.0 111.218 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.68 ' HE3' ' SG ' ' B' ' 63' ' ' CYS . 0.0 OUTLIER -81.27 -57.86 3.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.411 . . . . 15.0 110.36 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 66' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 6.1 m -69.02 -25.09 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.843 -0.617 . . . . 15.0 111.498 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.602 HD21 HD21 ' B' ' 50' ' ' LEU . 2.0 mt -57.42 -38.46 74.38 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.398 -0.365 . . . . 15.0 111.95 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -79.74 -27.18 40.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.841 0.353 . . . . 15.0 110.984 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -76.51 -47.77 21.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.031 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.776 -0.63 . . . . 15.0 110.616 -179.677 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo . . . . . 0 CA--C 1.529 0.262 0 CA-C-O 120.959 0.316 . . . . 15.0 112.804 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.525 ' HA ' ' OH ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -100.08 9.02 43.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.954 -0.567 . . . . 15.0 111.107 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -111.95 131.53 55.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.308 -0.405 . . . . 15.0 110.034 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.502 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 57.3 tp -53.57 -52.31 68.14 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.828 0.677 . . . . 15.0 112.828 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.2 Cg_endo -55.14 -45.94 36.77 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.128 1.886 . . . . 15.0 112.407 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -65.91 -38.74 89.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.075 -0.511 . . . . 15.0 110.256 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.4 tp -60.59 -42.52 96.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.231 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.9 m -63.83 -35.83 81.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.009 -0.542 . . . . 15.0 109.933 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.5 m -66.05 -38.87 89.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.414 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -75.22 -28.78 60.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.452 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.3 tp -81.22 -6.65 59.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.006 -0.543 . . . . 15.0 109.549 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 62.82 45.28 5.78 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.164 -0.926 . . . . 15.0 111.483 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -152.61 179.23 8.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.388 -0.369 . . . . 15.0 110.466 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.92 165.95 11.68 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.373 -0.376 . . . . 15.0 110.453 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.0 mt -67.37 -10.33 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.383 0.611 . . . . 15.0 110.801 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -90.7 -3.2 57.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.931 -0.577 . . . . 15.0 110.722 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -124.66 -24.47 4.16 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.645 0.609 . . . . 15.0 112.645 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.1 tt -51.8 118.68 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.547 0.689 . . . . 15.0 111.721 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.7 mm -83.35 98.44 5.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.325 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.3 tp -124.52 120.49 32.14 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.173 -0.677 . . . . 15.0 109.173 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -101.16 173.04 6.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.545 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 47.5 t -70.72 142.54 51.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.495 0.664 . . . . 15.0 111.548 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 p -71.57 -25.81 25.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.796 -1.093 . . . . 15.0 110.754 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -107.37 -55.86 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.081 0.4 . . . . 15.0 112.081 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.3 m -68.97 -23.72 64.16 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.874 0.324 . . . . 15.0 111.874 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.0 tptp 62.8 24.94 14.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.113 0.482 . . . . 15.0 110.876 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.04 142.41 36.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.621 -0.511 . . . . 15.0 109.621 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -65.87 132.72 49.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.936 0.398 . . . . 15.0 111.177 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.8 143.79 26.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.48 -0.782 . . . . 15.0 109.924 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.526 ' HB2' ' OE2' ' A' ' 41' ' ' GLU . 54.6 mt -78.68 151.68 32.07 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.008 -0.738 . . . . 15.0 109.008 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.425 ' HD3' ' OH ' ' A' ' 43' ' ' TYR . 2.3 ptp180 -52.85 -27.57 18.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.772 0.656 . . . . 15.0 112.772 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.463 ' H ' ' HG3' ' A' ' 40' ' ' ARG . 4.5 mtm180 -63.02 -52.06 64.38 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.64 0.257 . . . . 15.0 111.199 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.526 ' OE2' ' HB2' ' A' ' 38' ' ' LEU . 1.5 pm0 -71.05 -22.93 62.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.52 -0.309 . . . . 15.0 110.929 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 38' ' ' LEU . 79.5 t -64.62 -34.21 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.083 0.468 . . . . 15.0 109.853 178.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.425 ' OH ' ' HD3' ' A' ' 39' ' ' ARG . 17.3 m-85 -61.43 -28.36 69.21 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.627 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 23.8 m-20 -64.45 -32.19 73.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.78 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.459 ' HB3' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -68.14 -33.66 74.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.98 -0.555 . . . . 15.0 110.695 179.545 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.45 -37.88 17.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.123 -0.489 . . . . 15.0 111.132 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -63.93 -48.8 75.14 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.963 0.411 . . . . 15.0 110.692 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -94.9 162.96 13.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.257 -0.646 . . . . 15.0 109.257 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -88.16 105.15 17.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.01 0.433 . . . . 15.0 110.002 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.6 mt -133.5 174.66 10.18 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.016 -0.538 . . . . 15.0 110.385 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.6 m -121.69 149.47 43.18 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.058 -0.519 . . . . 15.0 109.967 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.3 mt -80.16 126.49 39.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.109 -0.496 . . . . 15.0 109.761 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.63 113.32 26.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.232 0.539 . . . . 15.0 110.936 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.525 ' OH ' ' HA ' ' A' ' 10' ' ' ARG . 37.1 m-85 -95.39 108.35 20.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.949 -0.569 . . . . 15.0 109.558 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -99.15 118.85 36.81 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.321 -0.622 . . . . 15.0 109.321 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 18.5 t70 74.98 -45.84 0.58 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.002 0.814 . . . . 15.0 110.902 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.68 -26.35 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.527 -0.629 . . . . 15.0 111.527 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -81.47 144.7 53.68 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 110.518 -0.179 . . . . 15.0 110.518 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 7.5 Cg_endo -82.39 119.53 3.07 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.387 2.058 . . . . 15.0 111.733 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -121.35 168.98 11.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.193 0.521 . . . . 15.0 110.946 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.47 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -118.77 -171.26 2.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.547 -0.752 . . . . 15.0 110.308 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.53 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 5.5 t -127.66 124.66 63.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.423 -0.584 . . . . 15.0 109.423 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.5 p -78.11 170.15 17.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.168 -0.308 . . . . 15.0 110.168 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -53.93 -33.77 57.7 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.268 0.355 . . . . 15.0 111.916 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -57.05 -60.07 4.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 15.0 111.355 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.53 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -75.23 -29.4 60.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.813 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 112.747 0.647 . . . . 15.0 112.747 -179.2 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.493 ' HB3' ' CZ ' ' B' ' 54' ' ' TYR . 15.1 mtm180 . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.241 0.067 . . . . 15.0 110.854 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.32 159.85 51.51 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.617 2.211 . . . . 15.0 111.75 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -96.87 7.38 46.74 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.276 0.473 . . . . 15.0 112.276 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -118.6 136.02 54.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.815 0.34 . . . . 15.0 110.902 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.526 ' HA ' HD11 ' B' ' 52' ' ' ILE . 40.2 tp -56.67 -55.0 47.78 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 113.103 0.779 . . . . 15.0 113.103 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 12.2 Cg_endo -55.75 -34.5 91.11 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.017 1.811 . . . . 15.0 112.576 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -75.28 -40.88 58.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.694 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.82 -34.19 74.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 15.0 110.898 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 69.2 m -57.18 -37.7 72.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.343 -0.389 . . . . 15.0 111.213 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -64.35 -41.62 96.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.013 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 0.1 OUTLIER -69.24 -34.72 75.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.807 -0.633 . . . . 15.0 110.57 -179.357 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 21.5 mt -84.49 -2.21 56.92 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.952 -0.567 . . . . 15.0 111.57 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 61.71 39.68 13.95 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.02 0.438 . . . . 15.0 111.271 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.473 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 14.8 t -146.52 -168.4 3.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.367 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 45.3 p -126.37 177.06 6.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 15.0 111.21 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.0 mt -65.61 -19.36 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.848 -0.615 . . . . 15.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -86.7 -6.58 58.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 15.0 111.638 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.473 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 31.8 t70 -128.34 -30.87 2.34 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.787 0.662 . . . . 15.0 112.787 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 tt -46.26 125.5 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.467 0.651 . . . . 15.0 112.222 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mm -96.48 109.94 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.64 -0.709 . . . . 15.0 110.05 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.877 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.2 tp -125.72 134.67 51.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.155 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -102.82 159.35 15.56 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.51 -0.552 . . . . 15.0 109.51 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 53.3 t -67.82 143.67 55.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.027 0.441 . . . . 15.0 109.983 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.66 -23.55 22.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.024 -0.535 . . . . 15.0 111.292 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -110.02 -53.04 2.72 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.093 -0.243 . . . . 15.0 111.439 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -72.62 -25.16 61.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.827 0.346 . . . . 15.0 111.117 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 2.8 mptm? 56.85 32.45 21.43 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.873 -0.603 . . . . 15.0 111.358 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -110.43 165.72 11.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.403 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -65.05 118.57 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.048 -0.523 . . . . 15.0 110.534 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.2 137.95 53.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.278 -0.419 . . . . 15.0 109.92 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 42' ' ' VAL . 0.3 OUTLIER -66.92 136.38 55.27 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.211 -0.663 . . . . 15.0 109.211 179.205 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -54.92 -30.6 58.84 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.161 0.288 . . . . 15.0 111.435 -178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -68.97 -41.23 78.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.689 0.28 . . . . 15.0 110.285 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.42 -27.27 65.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.728 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 38' ' ' LEU . 57.6 t -61.21 -34.23 59.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.296 -0.631 . . . . 15.0 109.296 178.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -71.49 -36.41 71.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.548 -0.751 . . . . 15.0 110.058 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -66.92 -38.01 85.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.557 -0.534 . . . . 15.0 109.557 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -62.56 -33.98 76.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.884 -0.598 . . . . 15.0 110.538 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.463 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -85.96 -17.63 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.689 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -76.5 -49.62 16.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.737 -0.665 . . . . 15.0 109.867 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -89.49 151.4 22.01 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.834 -0.802 . . . . 15.0 108.834 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -83.62 89.52 7.13 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.313 -0.555 . . . . 15.0 111.318 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.86 173.18 6.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.352 -0.611 . . . . 15.0 109.352 178.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 82.0 m -118.87 147.31 44.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.718 0.294 . . . . 15.0 110.504 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' B' ' 12' ' ' LEU . 48.3 mt -80.22 126.16 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.306 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.59 125.96 43.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.659 -0.7 . . . . 15.0 109.972 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 74.8 m-85 -107.87 109.35 20.85 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.175 -0.466 . . . . 15.0 111.485 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -91.9 115.0 27.69 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.295 -1.002 . . . . 15.0 108.295 178.454 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 1.6 m-20 71.35 -73.58 0.1 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.918 0.761 . . . . 15.0 110.696 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.2 27.35 0.14 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.578 -0.82 . . . . 15.0 112.703 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -127.49 138.06 32.01 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 122.651 -0.323 . . . . 15.0 110.557 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.534 ' HB2' HD11 ' B' ' 28' ' ' LEU . 32.4 Cg_endo -66.09 121.68 9.05 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.722 2.282 . . . . 15.0 112.467 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -126.76 144.04 51.07 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.026 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.877 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -110.3 -175.61 2.77 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.071 -0.513 . . . . 15.0 110.194 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' B' ' 66' ' ' CYS . 3.6 t -118.26 114.06 43.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 24.7 p -68.95 165.92 19.0 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.819 -0.437 . . . . 15.0 109.819 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 26.8 t0 -53.87 -26.74 26.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.758 0.651 . . . . 15.0 112.758 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -64.45 -59.6 4.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.063 0.458 . . . . 15.0 110.489 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' CYS . . . . . 0.488 ' HB2' ' CG1' ' B' ' 62' ' ' VAL . 0.0 OUTLIER -75.15 -30.77 60.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 13.9 tp -53.03 -52.05 59.71 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.862 0.69 . . . . 15.0 112.862 -178.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -72.35 -29.02 63.41 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.178 0.436 . . . . 15.0 112.178 -178.284 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -78.71 -29.45 45.44 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.362 0.504 . . . . 15.0 112.362 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.232 -0.889 . . . . 15.0 112.017 -178.579 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo . . . . . 0 N--CA 1.459 -0.531 0 N-CA-C 110.879 -0.47 . . . . 15.0 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -140.05 5.72 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.645 -0.422 . . . . 15.0 111.595 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -131.54 151.18 51.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.66 0.267 . . . . 15.0 110.841 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.637 ' HA ' HD11 ' A' ' 52' ' ' ILE . 40.1 tp -59.35 -54.42 56.31 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.955 -0.566 . . . . 15.0 112.401 -179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.8 Cg_endo -55.05 -34.19 86.26 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.045 1.83 . . . . 15.0 111.928 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 13.9 mt-30 -71.25 -35.09 71.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.948 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.8 tp -73.23 -34.68 66.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.86 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.403 ' SG ' HG12 ' A' ' 23' ' ' ILE . 73.1 m -57.13 -40.94 78.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.988 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -28.72 65.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.422 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 7.8 mm-40 -70.04 -33.71 72.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.253 0.549 . . . . 15.0 109.724 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 tp -91.09 -3.46 57.11 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.573 -0.739 . . . . 15.0 110.382 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 60.91 46.98 8.03 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.589 -0.732 . . . . 15.0 111.213 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -150.19 -175.65 5.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.143 -0.481 . . . . 15.0 110.509 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.3 p -107.76 174.98 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.073 0.463 . . . . 15.0 111.628 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.447 ' HA ' HG22 ' A' ' 26' ' ' ILE . 16.3 mt -70.92 -19.06 21.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 115.755 -0.657 . . . . 15.0 111.152 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -86.96 -8.82 56.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.729 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -114.78 -32.87 5.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.274 -0.421 . . . . 15.0 111.988 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.447 HG22 ' HA ' ' A' ' 23' ' ' ILE . 19.8 tt -60.59 124.41 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-O 121.4 0.619 . . . . 15.0 111.843 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.1 mm -112.44 112.31 39.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.928 -0.578 . . . . 15.0 110.135 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 mp -117.65 160.8 20.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.164 -0.471 . . . . 15.0 110.658 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -120.11 166.25 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.876 -0.416 . . . . 15.0 109.876 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.2 t -70.73 144.87 50.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.247 0.546 . . . . 15.0 110.949 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.78 -31.64 49.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.288 -0.869 . . . . 15.0 111.978 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -116.32 -32.66 5.22 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.951 0.723 . . . . 15.0 112.951 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.6 m -82.16 -22.27 36.15 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.815 -0.354 . . . . 15.0 110.476 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 61.25 20.21 10.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.844 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -93.34 143.73 25.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.791 -0.64 . . . . 15.0 110.069 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -70.42 122.87 20.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.432 -0.349 . . . . 15.0 110.432 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mp -79.88 120.89 24.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.415 -0.357 . . . . 15.0 110.157 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.3 mt -69.78 157.89 36.49 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.177 -0.675 . . . . 15.0 109.177 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -54.21 -28.49 41.32 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.016 0.436 . . . . 15.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -61.2 -44.15 97.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 15.0 110.182 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.65 -31.35 57.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.48 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 38' ' ' LEU . 47.6 t -64.7 -36.1 76.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.526 -0.546 . . . . 15.0 109.526 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -65.92 -37.48 86.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.775 -0.648 . . . . 15.0 109.917 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -33.63 76.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 15.0 110.023 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.438 ' CE2' HD23 ' A' ' 50' ' ' LEU . 14.3 t80 -70.83 -37.02 73.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.488 -0.778 . . . . 15.0 110.364 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -81.32 -20.85 39.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.01 0.433 . . . . 15.0 111.276 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -66.38 -25.9 67.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 15.0 110.506 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -124.27 172.8 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.903 -0.589 . . . . 15.0 110.299 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -99.29 90.43 4.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.673 -0.491 . . . . 15.0 109.673 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.438 HD23 ' CE2' ' A' ' 45' ' ' PHE . 17.0 tp -120.91 151.67 39.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.967 -0.56 . . . . 15.0 110.12 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.57 139.54 30.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.421 -0.354 . . . . 15.0 111.016 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.637 HD11 ' HA ' ' A' ' 12' ' ' LEU . 21.6 mt -80.62 133.18 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.777 -0.453 . . . . 15.0 109.777 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 m -93.69 113.51 28.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.478 0.656 . . . . 15.0 111.008 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' A' ' 59' ' ' PRO . 76.6 m-85 -100.44 110.05 22.22 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.109 -0.496 . . . . 15.0 109.67 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.39 125.26 46.64 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.136 -0.32 . . . . 15.0 110.136 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 71.55 -62.04 0.47 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.287 0.992 . . . . 15.0 110.73 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.401 ' H ' ' H ' ' A' ' 58' ' ' ASN . . . 177.75 16.73 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.591 -0.604 . . . . 15.0 111.591 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.627 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 4.6 t-20 -117.36 132.51 23.5 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 110.15 -0.315 . . . . 15.0 110.15 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.627 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 35.6 Cg_endo -67.21 116.54 4.24 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.675 2.25 . . . . 15.0 112.15 178.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 58' ' ' ASN . 38.8 m-85 -121.45 147.79 45.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.944 0.402 . . . . 15.0 110.561 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.15 170.3 8.26 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.164 -0.471 . . . . 15.0 109.901 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.5 t -98.65 113.6 33.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.328 -0.619 . . . . 15.0 109.328 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 24.8 p -69.03 167.97 14.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.268 0.556 . . . . 15.0 111.412 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -26.58 65.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.256 -0.884 . . . . 15.0 110.08 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -74.98 -58.53 3.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.65 -0.705 . . . . 15.0 110.623 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 99.0 m -59.52 -33.28 71.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.025 -0.534 . . . . 15.0 111.182 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.548 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 . . . . . 0 N--CA 1.467 0.422 0 CA-C-O 121.069 0.461 . . . . 15.0 111.171 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -76.76 -179.0 4.94 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.578 2.185 . . . . 15.0 112.127 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.401 ' HD2' ' N ' ' B' ' 10' ' ' ARG . 3.0 mpt_? -106.16 -4.74 19.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.157 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' B' ' 11' ' ' LYS . 50.8 mmtt -114.9 141.44 47.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.013 0.435 . . . . 15.0 110.43 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.567 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 13.4 tp -58.17 -48.68 96.6 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 113.53 0.937 . . . . 15.0 113.53 -178.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 1.8 Cg_endo -45.85 -51.03 8.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.898 2.399 . . . . 15.0 113.762 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -74.51 -29.68 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.679 0.276 . . . . 15.0 111.256 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 tp -62.24 -34.47 76.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.184 0.516 . . . . 15.0 109.818 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' CYS . . . . . 0.411 ' SG ' HG12 ' B' ' 23' ' ' ILE . 51.6 m -65.53 -38.19 88.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.633 -0.712 . . . . 15.0 110.26 179.166 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -37.75 86.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 15.0 110.678 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.69 -35.7 80.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.344 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -89.24 -1.12 57.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.728 -0.669 . . . . 15.0 110.561 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 56.23 41.42 29.32 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.84 -0.618 . . . . 15.0 110.826 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -136.71 178.66 6.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.877 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 29.7 p -99.23 168.33 10.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.059 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.411 HG12 ' SG ' ' B' ' 16' ' ' CYS . 3.4 mt -75.21 0.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.366 0.603 . . . . 15.0 110.567 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -101.55 -7.16 23.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 15.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -114.22 -29.81 6.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 15.0 111.643 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 15.7 tt -63.87 112.87 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.555 0.693 . . . . 15.0 111.11 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 51.0 mm -110.19 118.88 58.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.638 -0.71 . . . . 15.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' B' ' 37' ' ' LEU . 1.4 mp -114.14 155.76 25.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.921 -0.582 . . . . 15.0 109.828 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.423 ' HG3' ' CE2' ' B' ' 60' ' ' TYR . 1.6 pt-20 -103.19 161.39 13.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.766 0.317 . . . . 15.0 110.692 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' CYS . . . . . 0.51 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 53.9 t -74.37 143.96 44.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.309 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.498 HG13 ' CD2' ' B' ' 32' ' ' TYR . 3.2 p -77.46 -33.69 19.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.826 -0.624 . . . . 15.0 111.361 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.514 ' HB2' ' SG ' ' B' ' 66' ' ' CYS . 92.4 m-85 -96.74 -52.47 3.89 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.06 -0.256 . . . . 15.0 111.412 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 m -76.46 -25.46 54.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.655 -0.248 . . . . 15.0 111.401 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 28.8 mttt 61.43 28.61 17.96 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.468 0.651 . . . . 15.0 110.677 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -98.16 163.19 12.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.28 -0.873 . . . . 15.0 109.902 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -81.12 116.19 20.92 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.113 -0.328 . . . . 15.0 110.113 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' B' ' 61' ' ' ALA . 7.9 mp -81.08 126.07 30.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.871 0.367 . . . . 15.0 110.23 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 68.8 mt -78.27 171.98 14.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.151 -0.477 . . . . 15.0 109.778 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -59.96 -14.61 16.74 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.663 0.268 . . . . 15.0 111.474 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -60.76 -52.01 66.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.043 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.54 -31.46 65.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.59 . . . . 15.0 110.656 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.1 -38.17 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 15.0 110.96 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -71.37 -36.94 71.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.628 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -69.4 -36.3 76.62 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.01 -34.67 76.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.822 -1.081 . . . . 15.0 110.692 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.12 -33.65 22.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 15.0 111.359 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -68.52 -50.07 54.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.99 0.424 . . . . 15.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -92.83 162.46 14.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.749 -0.463 . . . . 15.0 109.749 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -81.0 80.93 7.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.47 0.652 . . . . 15.0 111.438 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.56 144.98 30.28 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.61 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.95 148.66 25.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.906 -0.588 . . . . 15.0 110.25 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 70.8 mt -80.69 131.94 32.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.933 0.397 . . . . 15.0 110.165 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -103.2 125.17 57.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.05 -0.523 . . . . 15.0 109.727 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -94.8 108.91 20.93 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.451 -0.5 . . . . 15.0 110.616 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -91.85 109.54 20.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.765 -0.652 . . . . 15.0 109.421 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 66.37 15.09 9.99 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.437 -0.801 . . . . 15.0 110.968 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.56 -7.04 49.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.717 -0.754 . . . . 15.0 112.648 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -99.83 141.28 22.5 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 110.031 -0.359 . . . . 15.0 110.031 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.07 118.46 5.45 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.723 2.282 . . . . 15.0 113.132 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' B' ' 29' ' ' GLU . 7.4 m-85 -124.21 166.59 15.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.83 -0.623 . . . . 15.0 109.693 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.489 ' HB3' HD22 ' B' ' 37' ' ' LEU . . . -123.68 179.64 4.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.119 0.485 . . . . 15.0 111.558 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' VAL . . . . . 0.513 HG13 ' HB2' ' B' ' 66' ' ' CYS . 22.0 t -120.22 121.26 65.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.537 -0.756 . . . . 15.0 110.104 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 6.8 p -83.64 176.32 9.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.66 0.267 . . . . 15.0 110.492 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.29 -27.86 67.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.051 0.453 . . . . 15.0 110.834 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -66.92 -57.74 6.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.989 -0.551 . . . . 15.0 111.053 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' CYS . . . . . 0.514 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 7.2 m -70.72 -24.18 62.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.884 -178.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -49.03 68.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.218 0.532 . . . . 15.0 111.34 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.01 -22.6 39.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.797 -0.638 . . . . 15.0 111.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.44 -54.2 6.72 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.825 0.676 . . . . 15.0 112.825 -178.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 C--O 1.255 1.392 0 CA-C-O 118.867 -0.587 . . . . 15.0 111.279 -178.596 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo . . . . . 0 N--CA 1.461 -0.425 0 CA-C-O 120.977 0.324 . . . . 15.0 112.421 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -90.15 6.8 41.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.205 -0.452 . . . . 15.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -125.3 134.7 52.16 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.45 -0.341 . . . . 15.0 110.185 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 23.8 tp -51.63 -51.48 69.4 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 114.093 1.146 . . . . 15.0 114.093 -177.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.8 Cg_endo -49.85 -40.61 48.4 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.466 2.11 . . . . 15.0 113.436 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -76.88 -24.92 52.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.734 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.454 HD22 HD13 ' A' ' 52' ' ' ILE . 41.6 tp -68.63 -34.45 75.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.8 0.333 . . . . 15.0 110.602 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 m -59.26 -35.61 74.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -66.33 -34.04 77.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.576 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -73.92 -27.34 60.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 15.0 111.15 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.4 mt -95.99 -0.53 50.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.877 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 59.47 56.95 3.49 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.542 -0.754 . . . . 15.0 111.731 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -161.15 179.74 8.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.491 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -103.81 170.58 7.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.888 0.375 . . . . 15.0 111.309 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' HA ' HG22 ' A' ' 26' ' ' ILE . 29.6 mt -65.06 -22.48 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.32 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -84.64 0.36 50.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.157 -179.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -127.24 -29.42 2.74 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.006 0.372 . . . . 15.0 112.006 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 23' ' ' ILE . 15.2 tt -59.21 121.85 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.513 0.673 . . . . 15.0 111.7 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 mm -110.58 120.49 61.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.707 -0.679 . . . . 15.0 109.593 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -121.51 151.07 40.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.38 -0.373 . . . . 15.0 110.151 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -100.1 155.84 17.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.393 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.6 t -68.28 143.78 55.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.043 -0.526 . . . . 15.0 110.399 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 p -62.63 -33.83 61.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.769 -0.65 . . . . 15.0 111.541 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -105.13 -54.11 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.948 0.351 . . . . 15.0 111.948 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.8 m -70.82 -25.35 62.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.108 0.411 . . . . 15.0 112.108 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 mttp 60.67 30.89 20.03 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.602 0.715 . . . . 15.0 110.08 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -102.85 142.33 34.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.076 -0.966 . . . . 15.0 110.099 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -68.26 123.04 19.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 mp -77.4 148.44 35.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.209 -0.451 . . . . 15.0 110.606 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.552 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . 66.0 mt -84.62 167.61 16.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.534 -0.543 . . . . 15.0 109.534 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.2 ptt-85 -66.11 -20.32 66.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.651 0.263 . . . . 15.0 110.969 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -64.24 -53.01 55.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.805 0.336 . . . . 15.0 110.698 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.552 ' OE1' ' HB2' ' A' ' 38' ' ' LEU . 1.1 pm0 -72.0 -33.0 67.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.259 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.459 HG13 HD21 ' A' ' 12' ' ' LEU . 24.4 t -60.85 -42.53 92.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.749 -0.463 . . . . 15.0 109.749 178.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -65.12 -42.06 94.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.954 -0.566 . . . . 15.0 110.05 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -66.12 -33.07 74.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.686 -0.688 . . . . 15.0 110.425 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 50' ' ' LEU . 13.6 t80 -69.18 -40.18 78.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.471 -0.786 . . . . 15.0 110.437 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.62 -13.25 52.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.915 -0.584 . . . . 15.0 111.315 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -70.34 -45.5 66.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.085 -0.507 . . . . 15.0 110.034 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.5 mtm-85 -104.92 -176.08 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.228 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -96.04 88.87 5.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.151 0.5 . . . . 15.0 111.126 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 45' ' ' PHE . 87.5 mt -115.66 149.92 37.58 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.882 -0.599 . . . . 15.0 109.596 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.4 p -101.15 147.84 25.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.817 0.342 . . . . 15.0 111.777 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.477 HD11 ' HA ' ' A' ' 12' ' ' LEU . 76.1 mt -81.3 134.64 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.019 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.2 t -91.34 113.85 27.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.501 -0.555 . . . . 15.0 109.501 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -94.19 113.08 24.95 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.058 0.456 . . . . 15.0 111.406 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.593 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -102.31 107.01 17.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.662 -0.699 . . . . 15.0 109.144 178.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.8 25.22 8.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.667 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.13 -7.96 75.91 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.812 -0.709 . . . . 15.0 112.365 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -91.94 134.85 28.11 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 110.442 -0.207 . . . . 15.0 110.442 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.3 120.36 6.5 Favored 'Trans proline' 0 CA--C 1.528 0.195 0 C-N-CA 122.722 2.281 . . . . 15.0 112.989 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.409 ' CD2' ' HB2' ' A' ' 55' ' ' ARG . 56.1 m-85 -126.17 151.03 47.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.045 -0.525 . . . . 15.0 110.058 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.73 172.57 6.75 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.307 -0.406 . . . . 15.0 110.301 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.18 117.06 54.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.552 -0.536 . . . . 15.0 109.552 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 26.6 p -72.89 168.03 19.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.968 0.414 . . . . 15.0 110.601 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.77 -24.7 64.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.016 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.2 -53.95 6.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.635 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 89.6 m -65.14 -24.9 67.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 15.0 112.076 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.245 0.545 . . . . 15.0 110.377 179.076 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 . . . . . 0 C--O 1.233 0.216 0 CA-C-O 121.075 0.464 . . . . 15.0 110.522 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -73.08 168.73 23.98 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.556 2.171 . . . . 15.0 112.386 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -91.41 0.93 57.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.177 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -104.86 122.05 44.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.527 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 15.1 tp -52.6 -52.31 65.14 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 116.006 -0.543 . . . . 15.0 111.934 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 19.2 Cg_endo -59.64 -33.8 96.59 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.091 1.861 . . . . 15.0 112.549 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -74.51 -27.84 60.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.722 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.405 HD23 HD11 ' B' ' 26' ' ' ILE . 44.5 tp -64.97 -34.68 79.01 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.825 -0.806 . . . . 15.0 108.825 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 7.5 m -65.06 -30.09 71.03 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.579 -0.737 . . . . 15.0 109.849 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -43.58 83.22 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.856 -0.611 . . . . 15.0 110.495 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -68.73 -35.89 77.71 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.075 0.464 . . . . 15.0 109.93 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 38.3 mt -74.93 -10.89 59.92 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.518 -0.764 . . . . 15.0 110.369 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 60.47 40.35 17.24 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.662 -0.699 . . . . 15.0 110.951 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -138.68 -172.37 3.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.46 -0.791 . . . . 15.0 109.57 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 38.2 p -108.04 172.4 6.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 15.0 111.426 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.39 1.98 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.348 0.594 . . . . 15.0 110.754 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -104.59 -1.87 25.9 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.742 -0.466 . . . . 15.0 109.742 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -121.37 -20.21 6.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.981 -0.554 . . . . 15.0 111.429 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.405 HD11 HD23 ' B' ' 15' ' ' LEU . 11.7 tt -67.61 125.55 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.008 0.432 . . . . 15.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 33.6 mm -129.21 126.03 63.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.613 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -117.72 160.58 21.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.713 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -110.48 158.97 17.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.925 0.393 . . . . 15.0 111.199 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 43.1 t -68.23 140.97 56.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.51 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -72.08 -22.01 20.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.972 -0.558 . . . . 15.0 111.246 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -106.96 -43.69 4.59 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 15.2 m -85.65 -21.3 28.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.986 0.365 . . . . 15.0 111.986 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.7 mptt 63.56 15.41 8.84 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.291 -0.413 . . . . 15.0 110.728 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -93.27 144.33 25.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.243 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -72.09 132.36 44.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.972 0.415 . . . . 15.0 111.343 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mp -87.98 141.8 28.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.867 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 40.6 mt -80.02 162.29 24.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.342 -0.39 . . . . 15.0 110.369 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -52.45 -36.78 55.4 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.838 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -62.07 -44.86 95.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.892 -0.595 . . . . 15.0 110.659 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.06 -33.67 70.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.183 -0.462 . . . . 15.0 110.666 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.9 t -62.18 -40.02 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.059 0.457 . . . . 15.0 109.884 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -74.4 -32.37 62.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.342 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.34 -34.62 77.7 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.028 -0.73 . . . . 15.0 109.028 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.36 -44.43 87.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.001 -1.0 . . . . 15.0 110.278 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.47 -13.19 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.886 -0.597 . . . . 15.0 111.504 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.08 -33.76 76.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.503 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -114.3 -177.89 3.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.839 -0.43 . . . . 15.0 109.839 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.78 84.88 7.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.076 0.465 . . . . 15.0 110.698 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.3 mp -116.55 150.53 37.83 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.219 -0.66 . . . . 15.0 109.219 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.91 148.93 27.07 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.717 0.294 . . . . 15.0 111.18 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -80.26 123.1 36.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.336 -0.616 . . . . 15.0 109.336 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.21 136.22 24.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.328 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -104.73 110.29 22.57 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -92.2 111.4 22.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.429 -0.952 . . . . 15.0 108.429 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 70.99 -72.14 0.12 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 124.029 0.831 . . . . 15.0 110.763 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.98 16.96 0.12 Allowed Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.135 -0.786 . . . . 15.0 111.135 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' B' ' 59' ' ' PRO . 0.8 OUTLIER -119.95 145.16 39.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 110.173 -0.306 . . . . 15.0 110.173 -179.601 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 8.1 Cg_exo -71.54 121.54 7.8 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.387 2.058 . . . . 15.0 111.691 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -122.27 167.89 12.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.091 -0.504 . . . . 15.0 110.34 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.36 178.75 5.85 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.556 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 34.5 t -113.36 123.8 69.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.767 -0.827 . . . . 15.0 108.767 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 28.8 p -73.67 174.58 8.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.297 0.57 . . . . 15.0 111.22 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.25 -16.55 63.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.414 -0.812 . . . . 15.0 110.805 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -81.72 -55.53 4.58 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.847 -0.615 . . . . 15.0 110.429 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 m -70.45 -18.72 63.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 15.0 111.553 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -43.15 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.035 -0.529 . . . . 15.0 112.199 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.67 -21.14 38.3 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.927 -0.309 . . . . 15.0 111.763 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -77.58 -41.73 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.843 0.354 . . . . 15.0 111.694 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.78 -0.628 . . . . 15.0 110.709 -178.987 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo . . . . . 0 N--CA 1.462 -0.359 0 N-CA-C 111.313 -0.303 . . . . 15.0 111.313 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -92.8 4.26 54.14 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.998 0.37 . . . . 15.0 111.998 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -114.76 136.37 53.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.776 0.322 . . . . 15.0 110.281 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.451 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 26.9 tp -55.77 -54.68 49.11 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 113.541 0.941 . . . . 15.0 113.541 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 12.4 Cg_endo -56.11 -35.53 95.13 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.019 1.813 . . . . 15.0 112.638 -179.383 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -73.37 -38.07 65.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.675 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -63.91 -34.78 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -56.51 -35.08 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -48.15 76.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.093 0.473 . . . . 15.0 111.202 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.84 -27.58 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.814 -0.63 . . . . 15.0 110.699 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.44 ' HB3' HG22 ' A' ' 21' ' ' THR . 0.3 OUTLIER -84.15 -9.29 58.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.841 -0.618 . . . . 15.0 110.207 179.234 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 62.34 40.37 11.29 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.584 -0.735 . . . . 15.0 111.619 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.44 HG22 ' HB3' ' A' ' 19' ' ' LEU . 6.1 t -146.35 -175.14 4.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.067 -0.515 . . . . 15.0 109.884 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.5 p -118.47 177.72 4.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.751 0.31 . . . . 15.0 110.486 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mt -73.3 -11.05 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.442 0.639 . . . . 15.0 110.106 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -83.82 -18.77 36.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.872 -0.603 . . . . 15.0 110.314 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -142.49 71.12 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.138 0.494 . . . . 15.0 111.376 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 tt -138.64 124.46 23.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.065 0.459 . . . . 15.0 110.142 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.7 mm -111.52 110.37 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.974 0.416 . . . . 15.0 110.567 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.1 mp -112.53 153.79 26.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.399 -0.593 . . . . 15.0 109.399 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -109.32 155.53 21.06 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.826 0.346 . . . . 15.0 110.836 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.476 ' HB3' ' H ' ' A' ' 35' ' ' GLN . 43.0 t -72.45 145.39 47.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.779 -0.646 . . . . 15.0 110.75 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.89 -27.61 16.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.805 -0.634 . . . . 15.0 111.718 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.457 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 42.2 m-85 -106.83 -44.93 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.999 0.37 . . . . 15.0 111.999 -178.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.6 m -86.81 -22.92 25.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.554 0.216 . . . . 15.0 111.233 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 8.6 mttt 61.12 29.18 18.72 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.334 0.588 . . . . 15.0 110.556 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.476 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 31.2 mm-40 -91.63 153.23 19.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.57 -0.741 . . . . 15.0 110.021 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -82.14 121.23 26.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.376 -0.375 . . . . 15.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.1 140.68 33.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.25 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 42' ' ' VAL . 65.5 mt -95.93 171.76 8.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.138 0.494 . . . . 15.0 111.442 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -58.86 -22.39 58.94 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.364 -0.834 . . . . 15.0 111.282 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -65.13 -52.52 54.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.545 . . . . 15.0 111.533 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -79.35 -27.0 41.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.488 -0.324 . . . . 15.0 111.588 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 38' ' ' LEU . 39.7 t -58.98 -39.93 79.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 15.0 110.817 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -69.65 -36.87 76.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.872 0.368 . . . . 15.0 110.71 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.88 -30.63 71.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.319 0.581 . . . . 15.0 109.944 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -64.56 -39.76 94.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.17 -0.923 . . . . 15.0 110.492 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.57 -20.77 29.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 15.0 111.262 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -68.06 -33.73 75.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.505 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -111.85 172.09 7.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.63 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -89.88 79.71 6.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.484 . . . . 15.0 111.19 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 67' ' ' LEU . 5.4 mp -104.69 166.84 10.12 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.019 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.3 m -123.5 147.28 47.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.037 -0.529 . . . . 15.0 110.312 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.405 HD11 ' HA ' ' A' ' 12' ' ' LEU . 56.3 mt -83.52 130.22 36.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.478 -0.328 . . . . 15.0 110.223 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.81 134.56 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.905 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -115.9 109.6 17.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.187 0.518 . . . . 15.0 111.805 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HD2' ' HB2' ' A' ' 56' ' ' ASP . 6.8 tmm_? -101.58 121.06 41.3 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.304 -0.998 . . . . 15.0 108.304 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.421 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 0.7 OUTLIER 71.7 -69.01 0.2 Allowed 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.987 0.804 . . . . 15.0 110.499 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.89 29.0 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.719 -0.673 . . . . 15.0 111.5 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -124.92 146.22 52.62 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 110.25 -0.278 . . . . 15.0 110.25 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.33 118.49 4.94 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.622 2.215 . . . . 15.0 112.477 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -122.11 146.93 46.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.382 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.461 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -108.81 170.08 8.27 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.039 -0.528 . . . . 15.0 110.875 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.3 t -100.15 113.88 37.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.589 -0.732 . . . . 15.0 109.603 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 27.0 p -77.34 179.72 6.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.239 0.542 . . . . 15.0 111.709 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -63.7 -25.18 68.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.451 -0.795 . . . . 15.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -82.79 -54.71 4.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.524 . . . . 15.0 111.308 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 54.4 m -71.26 -17.44 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.64 0.607 . . . . 15.0 112.64 -178.205 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 50' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.971 0.415 . . . . 15.0 111.734 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.581 ' HG3' ' CZ ' ' B' ' 54' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.522 0 N-CA-C 110.169 -0.308 . . . . 15.0 110.169 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.463 ' HD3' ' HG3' ' B' ' 18' ' ' GLU . 66.1 Cg_endo -90.8 160.38 4.12 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.963 2.442 . . . . 15.0 112.548 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -87.94 -0.85 57.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.394 -0.366 . . . . 15.0 111.43 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.457 ' HD2' ' OE1' ' B' ' 14' ' ' GLN . 90.2 mttt -102.46 130.03 49.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.416 -0.357 . . . . 15.0 110.332 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.644 ' HA ' HD11 ' B' ' 52' ' ' ILE . 39.4 tp -54.17 -54.44 47.59 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 113.059 0.763 . . . . 15.0 113.059 -179.05 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 13.0 Cg_endo -56.02 -36.0 95.42 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.063 1.842 . . . . 15.0 112.846 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.457 ' OE1' ' HD2' ' B' ' 11' ' ' LYS . 20.2 mt-30 -73.92 -34.9 64.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.369 -0.378 . . . . 15.0 110.491 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.793 HD22 HD13 ' B' ' 52' ' ' ILE . 40.8 tp -63.0 -39.35 94.49 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 116.418 -0.355 . . . . 15.0 110.407 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.8 m -58.45 -43.5 88.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 15.0 109.844 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 14.7 m -64.24 -44.14 92.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.792 -0.64 . . . . 15.0 111.045 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.463 ' HG3' ' HD3' ' B' ' 9' ' ' PRO . 81.3 mm-40 -65.1 -35.7 81.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.55 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -81.42 -2.14 48.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.677 -0.692 . . . . 15.0 110.897 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 57.83 45.86 17.87 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 121.222 0.534 . . . . 15.0 110.922 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -148.08 179.48 7.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.009 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 71.5 p -98.76 176.1 5.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.58 0.228 . . . . 15.0 110.47 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.408 ' H ' HG13 ' B' ' 23' ' ' ILE . 6.2 mt -77.27 -12.76 14.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.515 0.674 . . . . 15.0 110.191 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -95.12 -23.54 17.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.552 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -106.4 4.73 28.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.173 -0.467 . . . . 15.0 111.701 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.3 tt -80.79 124.39 38.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.216 0.531 . . . . 15.0 110.19 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 mm -99.75 106.77 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.076 0.465 . . . . 15.0 111.002 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.509 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.0 OUTLIER -128.1 143.74 51.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.637 -0.71 . . . . 15.0 109.542 178.866 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' B' ' 36' ' ' GLN . 4.5 pt-20 -116.97 166.95 11.59 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.703 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 40.7 t -67.79 143.81 55.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.183 0.516 . . . . 15.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.51 -25.58 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.333 -0.848 . . . . 15.0 111.754 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -117.73 -47.08 2.63 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.418 0.525 . . . . 15.0 112.418 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 18.7 m -68.1 -24.49 65.04 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.525 0.203 . . . . 15.0 110.976 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 tptp 64.22 15.95 9.73 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.905 -0.589 . . . . 15.0 111.353 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.23 139.66 35.59 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.552 -0.536 . . . . 15.0 109.552 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.415 ' HA ' ' HA ' ' B' ' 29' ' ' GLU . 18.4 pt20 -65.72 139.33 58.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.932 0.396 . . . . 15.0 110.907 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -84.7 142.9 29.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.895 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.447 ' O ' HG23 ' B' ' 42' ' ' VAL . 51.0 mt -82.71 149.1 27.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.961 -0.755 . . . . 15.0 108.961 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.43 ' HB3' ' HE ' ' B' ' 39' ' ' ARG . 0.0 OUTLIER -52.59 -28.6 21.78 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.376 0.51 . . . . 15.0 112.376 -178.549 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -61.48 -46.22 90.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.621 0.248 . . . . 15.0 110.624 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -74.93 -30.13 61.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.931 0.396 . . . . 15.0 110.089 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 38' ' ' LEU . 60.7 t -64.16 -34.89 71.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.046 -0.524 . . . . 15.0 109.64 178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -62.26 -44.9 95.5 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.024 178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -70.44 -27.71 64.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.521 . . . . 15.0 110.488 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -63.33 -35.62 81.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.762 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.95 -20.09 29.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.295 0.569 . . . . 15.0 110.298 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -75.18 -40.09 59.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.502 -0.772 . . . . 15.0 109.619 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -95.58 162.21 13.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.593 -0.731 . . . . 15.0 109.845 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -84.71 95.56 8.96 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.496 -0.557 . . . . 15.0 109.496 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.7 mt -132.95 142.59 48.96 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.409 -0.36 . . . . 15.0 110.591 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.5 m -100.71 155.51 17.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.793 HD13 HD22 ' B' ' 15' ' ' LEU . 62.5 mt -80.61 132.72 31.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.792 0.33 . . . . 15.0 110.687 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 t -90.99 136.29 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.342 -0.614 . . . . 15.0 109.342 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.581 ' CZ ' ' HG3' ' B' ' 8' ' ' ARG . 50.0 m-85 -120.9 110.2 16.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.085 0.469 . . . . 15.0 111.96 -178.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 0.7 OUTLIER -103.37 115.88 31.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.092 -1.077 . . . . 15.0 108.092 178.035 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 10.1 t70 73.4 -52.92 0.7 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.823 0.702 . . . . 15.0 110.613 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 174.15 -26.47 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 121.173 -0.537 . . . . 15.0 112.379 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -71.86 143.16 86.42 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.55 0.214 . . . . 15.0 110.594 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -74.53 122.43 7.42 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.706 2.271 . . . . 15.0 112.473 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -123.01 149.45 44.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.083 0.468 . . . . 15.0 110.723 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.509 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -115.99 -176.24 2.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.765 -0.652 . . . . 15.0 110.201 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 t -118.77 119.8 62.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.556 -0.535 . . . . 15.0 109.556 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 2.1 p -80.48 170.81 15.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.468 0.175 . . . . 15.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -53.14 -36.09 60.44 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.981 -0.554 . . . . 15.0 111.429 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.583 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 9.1 mtpt -64.57 -54.55 30.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.248 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 17.3 m -73.03 -27.07 61.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.787 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -59.06 -33.89 71.31 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.456 0.539 . . . . 15.0 112.456 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 61.0 pttt -78.66 -22.87 46.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.764 0.316 . . . . 15.0 110.597 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -77.66 -51.42 10.64 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.196 0.443 . . . . 15.0 112.196 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.398 -0.811 . . . . 15.0 111.748 -177.82 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo . . . . . 0 N--CA 1.464 -0.258 0 CA-C-O 120.925 0.302 . . . . 15.0 112.05 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -95.41 21.52 8.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.093 0.473 . . . . 15.0 110.775 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -125.64 125.11 42.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.584 . . . . 15.0 110.055 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 49.5 tp -52.67 -53.18 56.92 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 113.393 0.886 . . . . 15.0 113.393 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 12.3 Cg_endo -55.89 -33.93 90.21 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.326 2.017 . . . . 15.0 113.149 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -84.67 -33.49 23.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.901 0.382 . . . . 15.0 110.65 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.3 tp -62.0 -38.31 88.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.972 -0.558 . . . . 15.0 110.225 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.0 m -59.71 -36.34 76.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.498 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -65.86 -40.67 91.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.674 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.99 -37.0 85.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 15.0 110.577 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.57 0.72 55.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.557 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 58.76 45.51 15.51 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.308 0.38 . . . . 15.0 111.281 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -152.05 -170.18 3.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.723 -0.217 . . . . 15.0 110.513 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.7 p -122.94 177.62 5.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.954 0.407 . . . . 15.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.406 ' HA ' HG22 ' A' ' 26' ' ' ILE . 26.4 mt -67.87 -19.1 24.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.957 -0.565 . . . . 15.0 111.078 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -83.66 -3.26 57.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.139 -0.482 . . . . 15.0 111.421 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -132.09 -27.03 1.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.235 0.457 . . . . 15.0 112.235 -178.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.406 HG22 ' HA ' ' A' ' 23' ' ' ILE . 20.2 tt -55.79 134.02 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 121.301 0.572 . . . . 15.0 111.482 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.7 mm -102.73 115.98 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.77 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.563 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.1 mp -124.37 139.08 54.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.881 -0.6 . . . . 15.0 109.79 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 4.2 pt-20 -122.87 164.16 18.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.881 -0.145 . . . . 15.0 110.719 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.8 t -67.97 137.3 55.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.126 0.489 . . . . 15.0 110.817 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.495 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 10.0 p -66.93 -26.99 38.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.814 -0.63 . . . . 15.0 111.554 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -105.61 -54.64 2.45 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.048 0.388 . . . . 15.0 112.048 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.0 m -74.59 -22.27 59.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.014 0.376 . . . . 15.0 112.014 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 mptt 63.21 25.5 14.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.23 0.538 . . . . 15.0 110.903 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -90.0 134.05 34.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.937 -0.574 . . . . 15.0 109.499 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -68.92 120.53 14.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.902 0.382 . . . . 15.0 110.533 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -85.53 122.48 29.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.944 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.2 mt -64.58 147.66 52.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.411 -0.589 . . . . 15.0 109.411 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -53.71 -29.86 41.1 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.759 0.314 . . . . 15.0 111.401 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.418 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 48.9 ttp180 -60.68 -40.82 93.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.277 -0.42 . . . . 15.0 110.679 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.85 -33.01 65.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.927 -0.578 . . . . 15.0 109.775 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.48 -33.22 60.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.528 -0.76 . . . . 15.0 110.375 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 20.0 m-85 -61.9 -31.68 71.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 15.0 110.343 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -30.96 60.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.333 0.587 . . . . 15.0 109.594 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -65.97 -38.52 88.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.171 -0.922 . . . . 15.0 110.082 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.68 -16.67 50.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.015 -0.538 . . . . 15.0 111.763 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -77.18 -22.59 52.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.357 0.599 . . . . 15.0 109.936 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -116.53 171.49 7.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.017 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -93.48 95.53 9.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.623 -0.51 . . . . 15.0 109.623 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -122.54 154.93 37.23 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.632 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.16 148.24 22.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.725 -0.67 . . . . 15.0 111.061 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.2 mt -95.3 123.38 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.02 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.7 137.27 22.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.794 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -116.09 124.5 50.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.1 107.16 18.99 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.155 -0.683 . . . . 15.0 109.155 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t70 68.96 -74.07 0.08 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.043 0.839 . . . . 15.0 110.898 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.35 12.55 0.27 Allowed Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.796 -0.522 . . . . 15.0 111.796 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -114.29 137.62 22.63 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.44 130.06 21.53 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.877 2.384 . . . . 15.0 111.974 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.495 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 9.2 m-85 -130.3 166.5 20.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.965 0.412 . . . . 15.0 110.839 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.563 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -121.66 -176.42 3.31 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.927 -0.579 . . . . 15.0 110.948 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.6 t -123.44 122.44 65.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.694 -0.685 . . . . 15.0 109.533 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 25.6 p -74.03 173.18 10.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.668 0.271 . . . . 15.0 110.761 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.26 -23.19 67.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.195 0.521 . . . . 15.0 110.613 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -75.95 -56.71 4.41 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.828 -0.624 . . . . 15.0 110.496 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 64.0 m -71.97 -19.23 61.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.546 -0.752 . . . . 15.0 111.627 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.171 0.51 . . . . 15.0 111.479 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 62.2 mtm180 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.688 0.28 . . . . 15.0 111.111 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.2 170.17 13.79 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.408 2.072 . . . . 15.0 111.933 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.89 2.78 38.49 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.962 -0.295 . . . . 15.0 111.617 -179.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -116.76 132.14 56.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.912 -0.403 . . . . 15.0 109.912 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 37.8 tp -52.07 -51.15 74.08 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 113.063 0.764 . . . . 15.0 113.063 -178.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.4 Cg_endo -55.89 -34.15 90.82 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.054 1.836 . . . . 15.0 112.637 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -77.76 -33.32 52.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.892 0.377 . . . . 15.0 110.351 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.422 HD22 HD13 ' B' ' 52' ' ' ILE . 48.8 tp -65.85 -34.54 78.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.204 0.526 . . . . 15.0 109.679 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.1 m -61.13 -37.65 83.57 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.614 -0.721 . . . . 15.0 110.081 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -40.27 93.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.324 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.66 -33.8 76.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.899 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mt -86.53 -3.9 59.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.603 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 60.92 41.62 14.05 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.554 -0.748 . . . . 15.0 111.216 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -144.1 -175.24 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.94 -0.573 . . . . 15.0 109.843 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p -110.13 172.13 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.953 0.406 . . . . 15.0 111.343 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.513 ' HA ' HG22 ' B' ' 26' ' ' ILE . 5.8 mt -71.57 -7.18 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.441 0.639 . . . . 15.0 110.447 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -93.5 -6.56 46.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.531 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -125.57 -25.5 3.7 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.02 0.378 . . . . 15.0 112.02 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.513 HG22 ' HA ' ' B' ' 23' ' ' ILE . 21.2 tt -61.5 125.26 17.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.367 0.603 . . . . 15.0 111.281 -179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 47.7 mm -114.47 114.01 45.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.939 -0.573 . . . . 15.0 109.98 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.2 mp -111.8 160.91 16.89 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.164 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -107.71 151.99 24.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.399 -0.364 . . . . 15.0 110.627 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 41.7 t -69.31 137.97 53.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.305 -0.407 . . . . 15.0 110.413 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' B' ' 60' ' ' TYR . 12.3 p -68.87 -25.0 29.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.701 -0.681 . . . . 15.0 111.784 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -110.81 -55.36 2.49 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.801 -0.359 . . . . 15.0 111.867 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 m -68.53 -21.67 64.55 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.619 0.229 . . . . 15.0 111.619 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm 59.55 30.03 19.65 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.018 -0.537 . . . . 15.0 111.178 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -105.46 169.2 8.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.515 -0.311 . . . . 15.0 110.521 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -77.62 123.51 26.73 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.885 -0.783 . . . . 15.0 108.885 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.64 132.83 49.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.868 0.366 . . . . 15.0 111.028 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 42' ' ' VAL . 57.1 mt -76.23 164.66 25.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.886 -0.597 . . . . 15.0 110.336 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -54.45 -44.95 72.97 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.43 -0.35 . . . . 15.0 111.336 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -65.5 -37.04 85.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.58 -0.282 . . . . 15.0 111.18 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.464 ' OE2' ' HB2' ' B' ' 63' ' ' CYS . 53.7 mt-10 -66.51 -40.49 89.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.746 0.307 . . . . 15.0 110.317 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 38' ' ' LEU . 58.7 t -65.89 -42.7 92.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.12 0.486 . . . . 15.0 109.847 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -66.05 -35.27 80.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.949 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -35.86 82.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.093 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -67.25 -33.43 75.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.054 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.65 -15.99 55.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 15.0 111.118 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -93.48 -39.83 10.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.544 . . . . 15.0 110.74 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -93.95 133.95 36.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.218 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.23 95.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.439 0.638 . . . . 15.0 110.93 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mt -131.53 179.21 6.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.274 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 9.3 p -127.05 151.67 48.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.169 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.447 HD11 ' HA ' ' B' ' 12' ' ' LEU . 77.2 mt -80.29 122.45 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.951 0.405 . . . . 15.0 110.603 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.69 114.32 31.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.766 -0.652 . . . . 15.0 110.608 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -93.48 111.01 22.58 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.146 0.498 . . . . 15.0 110.495 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -98.35 114.05 26.23 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.597 -0.89 . . . . 15.0 108.597 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t70 73.72 -51.41 0.7 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 124.05 0.844 . . . . 15.0 111.616 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.51 8.77 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.747 -0.74 . . . . 15.0 112.529 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.406 ' HA ' ' HD3' ' B' ' 59' ' ' PRO . 1.0 OUTLIER -106.46 140.47 21.35 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.862 -0.421 . . . . 15.0 109.862 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 22.3 Cg_exo -64.28 107.15 0.77 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.372 2.048 . . . . 15.0 111.677 179.038 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' TYR . . . . . 0.402 ' HB3' ' HB ' ' B' ' 31' ' ' VAL . 51.1 m-85 -117.31 147.27 42.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.878 -0.601 . . . . 15.0 110.309 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.517 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -127.15 168.95 13.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.117 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 t -97.78 113.12 31.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.575 -0.898 . . . . 15.0 108.575 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' CYS . . . . . 0.464 ' HB2' ' OE2' ' B' ' 41' ' ' GLU . 29.5 p -73.15 173.06 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.962 0.41 . . . . 15.0 111.574 -178.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.01 -21.77 65.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.634 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.532 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 0.7 OUTLIER -82.68 -50.47 8.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.973 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 66.0 m -69.99 -26.39 64.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.733 0.301 . . . . 15.0 111.204 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.59 -43.86 89.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 15.0 111.769 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -79.49 -13.48 59.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.637 0.256 . . . . 15.0 111.215 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.05 -26.85 54.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 15.0 111.228 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.544 -0.741 . . . . 15.0 111.222 -179.054 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo . . . . . 0 N--CA 1.461 -0.41 0 N-CA-C 111.254 -0.325 . . . . 15.0 111.254 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -93.38 18.66 9.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.038 0.447 . . . . 15.0 111.204 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -128.38 129.11 45.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.914 -0.585 . . . . 15.0 109.757 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 37.2 tp -50.53 -52.78 52.5 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 113.708 1.003 . . . . 15.0 113.708 -178.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 9.3 Cg_endo -52.85 -35.88 71.93 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 122.467 2.111 . . . . 15.0 113.761 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -85.47 -24.97 27.17 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.547 0.203 . . . . 15.0 111.547 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.9 tp -72.3 -34.55 68.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 15.0 110.698 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.553 ' SG ' HG12 ' A' ' 23' ' ' ILE . 58.9 m -59.48 -40.6 87.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.562 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -31.54 72.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 15.0 111.18 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.71 -37.94 89.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.211 0.529 . . . . 15.0 110.006 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.2 mt -84.77 -2.81 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.44 -0.8 . . . . 15.0 110.295 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 61.4 32.3 19.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.525 -0.761 . . . . 15.0 111.228 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -130.91 178.66 6.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.092 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.4 p -101.08 168.14 9.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.031 0.444 . . . . 15.0 111.448 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.553 HG12 ' SG ' ' A' ' 16' ' ' CYS . 11.5 mt -69.01 -11.1 14.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.629 0.728 . . . . 15.0 110.352 179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -91.12 -0.51 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.546 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -125.74 -32.1 2.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.247 0.462 . . . . 15.0 112.247 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.495 HG22 ' HA ' ' A' ' 23' ' ' ILE . 13.9 tt -61.38 124.03 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.257 0.551 . . . . 15.0 111.431 -179.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 mm -113.47 108.99 26.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.991 -0.55 . . . . 15.0 110.393 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tp -109.96 156.06 20.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.247 -0.433 . . . . 15.0 109.973 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 2.8 pt-20 -113.72 162.47 16.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.668 -0.242 . . . . 15.0 110.523 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.526 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 44.3 t -67.39 140.54 57.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.254 0.549 . . . . 15.0 111.176 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.8 p -74.21 -18.44 17.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.376 -0.829 . . . . 15.0 111.328 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -101.83 -65.04 1.01 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.223 0.453 . . . . 15.0 112.223 -178.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.74 -2.95 58.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.599 0.592 . . . . 15.0 112.599 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 8.9 mptt 60.59 25.62 15.32 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.717 0.407 . . . . 15.0 111.972 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.452 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 3.6 mm-40 -77.32 133.31 38.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.498 -0.319 . . . . 15.0 110.254 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -70.88 119.02 14.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.751 0.31 . . . . 15.0 110.283 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mp -79.9 132.8 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.796 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.563 HD23 ' H ' ' A' ' 40' ' ' ARG . 0.4 OUTLIER -76.49 155.94 33.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.066 -0.716 . . . . 15.0 109.066 178.852 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -50.55 -32.1 17.54 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.926 0.393 . . . . 15.0 111.412 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.563 ' H ' HD23 ' A' ' 38' ' ' LEU . 54.2 ttp180 -61.24 -45.0 96.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.67 -0.695 . . . . 15.0 111.259 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.98 -27.51 60.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.031 -0.531 . . . . 15.0 110.439 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 38' ' ' LEU . 98.2 t -64.89 -36.01 76.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.82 -0.627 . . . . 15.0 110.044 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -67.91 -35.02 77.73 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.047 -0.524 . . . . 15.0 110.06 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.65 -30.02 69.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.725 -0.67 . . . . 15.0 110.112 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -71.0 -34.06 71.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.139 -0.937 . . . . 15.0 110.61 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.43 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -84.43 -17.98 37.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.722 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -91.74 16.7 10.19 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.916 0.389 . . . . 15.0 111.292 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.91 154.3 38.09 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.475 -0.565 . . . . 15.0 109.475 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -78.14 78.02 4.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.436 0.636 . . . . 15.0 110.505 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.4 mt -116.02 160.43 20.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.731 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.29 155.72 31.29 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.078 0.466 . . . . 15.0 110.929 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.46 HD11 ' HA ' ' A' ' 12' ' ' LEU . 50.6 mt -87.45 126.86 41.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.529 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.9 t -93.4 119.21 40.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.314 -0.624 . . . . 15.0 109.314 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -93.65 111.97 23.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.23 0.538 . . . . 15.0 111.461 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.89 104.57 12.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.504 -0.771 . . . . 15.0 109.051 179.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 t70 69.13 -70.46 0.14 Allowed 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.99 0.806 . . . . 15.0 111.053 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -162.45 33.73 0.33 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.787 -0.721 . . . . 15.0 112.576 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -138.23 145.66 48.3 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 110.365 -0.235 . . . . 15.0 110.365 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -69.57 118.97 6.0 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.75 2.3 . . . . 15.0 112.832 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.426 ' CE2' ' HG3' ' A' ' 29' ' ' GLU . 37.3 m-85 -131.93 147.11 52.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.027 179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -112.02 -176.46 2.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.761 0.315 . . . . 15.0 110.536 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 t -113.56 120.16 62.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.228 -0.656 . . . . 15.0 109.228 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 25.9 p -72.33 171.52 12.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.073 0.464 . . . . 15.0 111.095 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -63.51 -19.24 64.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.685 -0.688 . . . . 15.0 110.511 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -78.55 -58.92 3.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.859 -0.61 . . . . 15.0 111.033 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 16.6 m -72.72 -22.75 60.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.608 0.596 . . . . 15.0 112.608 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.464 0.264 0 N-CA-C 112.034 0.383 . . . . 15.0 112.034 -179.412 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.493 ' HB3' ' CE2' ' B' ' 54' ' ' TYR . 36.5 mtt-85 . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.822 0.344 . . . . 15.0 110.387 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.44 153.82 68.36 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.114 2.543 . . . . 15.0 113.191 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 49.2 mmt-85 -102.49 1.48 35.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.766 -0.652 . . . . 15.0 111.162 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -106.82 128.85 54.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.521 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.488 ' HA ' HD11 ' B' ' 52' ' ' ILE . 61.1 tp -54.01 -53.21 60.83 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.556 0.576 . . . . 15.0 112.556 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.9 Cg_endo -54.87 -42.71 66.3 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 122.005 1.803 . . . . 15.0 112.56 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -71.14 -36.45 72.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.684 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.422 HD23 HD11 ' B' ' 26' ' ' ILE . 30.0 tp -62.25 -41.28 98.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.488 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 54.3 m -62.52 -35.09 78.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.033 -0.53 . . . . 15.0 110.537 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -67.3 -37.18 82.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.919 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -69.6 -32.45 71.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.965 0.412 . . . . 15.0 110.753 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 67.0 mt -84.68 -0.16 52.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.575 . . . . 15.0 110.712 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 59.68 38.93 21.66 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.758 -0.656 . . . . 15.0 111.366 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 12.6 t -142.38 -173.1 3.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.307 -0.406 . . . . 15.0 110.297 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.0 p -109.95 169.76 8.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.937 0.398 . . . . 15.0 110.754 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.1 mt -66.32 -15.7 19.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.537 0.684 . . . . 15.0 110.444 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' HIS . . . . . 0.442 ' HA ' ' HD2' ' B' ' 39' ' ' ARG . 14.8 m170 -88.8 -4.84 58.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.754 -0.657 . . . . 15.0 111.59 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -125.42 -31.57 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.094 0.405 . . . . 15.0 112.094 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.422 HD11 HD23 ' B' ' 15' ' ' LEU . 15.8 tt -47.2 130.26 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.815 0.672 . . . . 15.0 112.815 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mm -85.07 125.52 40.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.668 -0.696 . . . . 15.0 109.441 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' B' ' 28' ' ' LEU . 3.5 tp -136.78 135.95 38.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.71 0.29 . . . . 15.0 110.641 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.64 161.76 17.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.89 -0.595 . . . . 15.0 109.939 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' CYS . . . . . 0.545 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 42.4 t -78.23 143.75 36.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.73 0.3 . . . . 15.0 110.257 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.2 p -80.31 -22.5 11.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.26 -0.427 . . . . 15.0 111.291 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -105.69 -46.81 4.06 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.945 -0.302 . . . . 15.0 111.408 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' CYS . . . . . 0.41 ' SG ' ' NZ ' ' B' ' 65' ' ' LYS . 11.4 m -83.11 -23.19 33.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.486 -0.324 . . . . 15.0 110.78 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.545 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 0.1 OUTLIER 61.2 24.5 14.6 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.62 -0.718 . . . . 15.0 112.132 179.43 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -105.39 168.67 8.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 15.0 109.869 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -70.34 131.61 44.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.671 0.272 . . . . 15.0 110.613 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.79 136.95 36.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.638 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.474 ' O ' HG23 ' B' ' 42' ' ' VAL . 61.4 mt -67.49 143.87 55.97 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.423 -0.584 . . . . 15.0 109.423 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.442 ' HD2' ' HA ' ' B' ' 24' ' ' HIS . 15.7 tpp180 -56.15 -36.41 68.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.61 -0.268 . . . . 15.0 111.164 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.438 ' HD3' ' CG ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -64.36 -38.03 89.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.843 179.545 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.89 -33.5 73.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.114 0.483 . . . . 15.0 110.104 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 38' ' ' LEU . 35.4 t -62.66 -34.33 64.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.953 -0.567 . . . . 15.0 109.622 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.64 -41.86 99.27 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.794 -0.639 . . . . 15.0 110.033 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.49 -39.59 88.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 15.0 110.045 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.12 -33.32 74.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.253 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.23 -15.58 43.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.935 -0.575 . . . . 15.0 110.912 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -84.83 -55.67 3.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.202 -0.453 . . . . 15.0 109.964 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -84.89 130.79 34.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.55 -0.537 . . . . 15.0 109.55 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -68.07 94.64 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.185 0.517 . . . . 15.0 111.372 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 43.4 mt -118.07 -173.39 2.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.604 -0.725 . . . . 15.0 110.171 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 5.1 m -127.37 144.45 51.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.453 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.488 HD11 ' HA ' ' B' ' 12' ' ' LEU . 51.5 mt -82.03 127.87 39.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.956 -0.566 . . . . 15.0 110.569 179.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.6 t -93.29 121.64 44.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' B' ' 8' ' ' ARG . 6.9 m-85 -93.68 125.88 38.54 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.096 0.474 . . . . 15.0 111.466 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -104.55 105.31 15.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.282 179.364 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 1.8 m-20 74.59 -44.43 0.55 Allowed 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.881 0.738 . . . . 15.0 111.599 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.01 -10.48 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.932 -0.576 . . . . 15.0 111.874 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -91.91 134.04 29.55 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 110.059 -0.349 . . . . 15.0 110.059 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -67.15 104.06 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.865 2.376 . . . . 15.0 112.956 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' TYR . . . . . 0.487 ' O ' HG23 ' B' ' 52' ' ' ILE . 7.2 m-30 -113.47 160.85 18.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.172 -0.467 . . . . 15.0 109.827 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.63 -163.8 1.3 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.941 0.401 . . . . 15.0 110.844 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' VAL . . . . . 0.413 HG13 ' HB2' ' B' ' 66' ' ' CYS . 11.4 t -121.4 124.88 72.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.927 -0.579 . . . . 15.0 110.001 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 27.4 p -80.77 173.11 12.93 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.11 -0.33 . . . . 15.0 110.11 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.2 -36.64 42.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.029 -0.532 . . . . 15.0 112.348 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.41 ' NZ ' ' SG ' ' B' ' 33' ' ' CYS . 4.8 mttp -60.99 -60.74 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.939 0.348 . . . . 15.0 111.939 -178.089 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' CYS . . . . . 0.413 ' HB2' HG13 ' B' ' 62' ' ' VAL . 0.0 OUTLIER -74.49 -23.23 58.82 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.994 0.368 . . . . 15.0 111.994 -178.914 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.14 -47.94 74.37 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.16 0.43 . . . . 15.0 112.16 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -79.37 -29.55 42.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.011 0.374 . . . . 15.0 112.011 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -77.09 -46.88 22.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 15.0 111.88 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.795 -0.621 . . . . 15.0 110.705 -178.519 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo . . . . . 0 CA--C 1.528 0.178 0 CA-C-O 121.127 0.386 . . . . 15.0 112.434 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -100.46 9.45 42.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 15.0 111.388 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -120.66 130.88 54.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.106 -0.497 . . . . 15.0 109.876 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.8 tp -53.19 -50.57 81.65 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 113.467 0.914 . . . . 15.0 113.467 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.6 Cg_endo -54.39 -35.79 85.55 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.29 1.993 . . . . 15.0 113.538 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -83.0 -29.69 28.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.577 0.227 . . . . 15.0 111.07 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.478 HD22 HD13 ' A' ' 52' ' ' ILE . 54.6 tp -65.46 -38.4 89.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.036 0.446 . . . . 15.0 110.03 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.9 m -62.1 -36.98 83.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.778 -0.647 . . . . 15.0 110.321 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -38.62 88.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 15.0 110.661 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -68.59 -32.81 72.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.185 0.517 . . . . 15.0 110.129 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.2 2.02 29.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.656 -0.702 . . . . 15.0 110.807 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 56.3 42.01 28.4 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.968 -0.56 . . . . 15.0 110.794 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -150.59 -173.74 4.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.99 -0.55 . . . . 15.0 110.72 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 p -112.14 173.01 6.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.697 0.284 . . . . 15.0 111.25 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -28.53 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 121.12 0.486 . . . . 15.0 110.666 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.49 49.17 1.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.859 -0.61 . . . . 15.0 109.485 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -168.39 -39.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.963 -178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 tt -63.91 128.1 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 115.795 -0.638 . . . . 15.0 111.247 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.0 mm -117.12 114.42 45.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.05 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -119.52 154.55 33.65 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.804 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -112.76 164.04 13.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.766 0.317 . . . . 15.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 52.5 t -70.19 144.34 51.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.82 -0.627 . . . . 15.0 111.019 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.3 p -76.8 -25.55 15.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.834 -0.621 . . . . 15.0 111.175 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -102.24 -50.17 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.645 0.259 . . . . 15.0 111.674 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 m -80.23 -21.96 42.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.444 -0.344 . . . . 15.0 111.465 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 6.4 mptt 59.98 30.76 20.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.936 -0.574 . . . . 15.0 110.82 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -104.46 141.55 36.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.648 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -70.25 126.65 30.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.703 0.287 . . . . 15.0 110.72 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 mp -76.69 149.12 36.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.802 -0.635 . . . . 15.0 111.295 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.446 ' HG ' ' H ' ' A' ' 39' ' ' ARG . 12.1 tp -97.1 167.87 10.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.605 -0.725 . . . . 15.0 110.149 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 41.2 ttt180 -53.8 -30.09 43.41 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.905 0.482 . . . . 15.0 112.212 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -63.87 -53.96 42.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.608 0.242 . . . . 15.0 111.554 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 1.4 pm0 -72.38 -30.33 64.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.497 -0.319 . . . . 15.0 111.169 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 38' ' ' LEU . 56.1 t -62.63 -39.1 83.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 109.75 -0.463 . . . . 15.0 109.75 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -72.22 -36.25 69.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 15.0 109.93 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -35.42 78.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.325 0.583 . . . . 15.0 109.883 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -66.99 -38.63 86.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.117 -0.947 . . . . 15.0 111.022 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.65 -21.66 30.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.771 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -71.84 -24.87 61.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.956 0.408 . . . . 15.0 110.597 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -116.7 169.7 9.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.396 -0.594 . . . . 15.0 109.396 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -91.24 89.59 7.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.098 0.475 . . . . 15.0 110.811 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.78 172.85 6.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.648 -0.706 . . . . 15.0 109.681 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.1 m -126.31 150.47 48.46 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.42 -0.215 . . . . 15.0 110.42 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.478 HD13 HD22 ' A' ' 15' ' ' LEU . 60.7 mt -80.75 132.15 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.922 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.24 114.93 34.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.96 -0.564 . . . . 15.0 110.33 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -96.65 111.65 23.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.33 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -92.04 108.91 20.28 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.599 -0.889 . . . . 15.0 108.599 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t70 72.43 -70.74 0.15 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.892 0.745 . . . . 15.0 110.911 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.0 22.97 0.19 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.019 -0.61 . . . . 15.0 111.906 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -125.96 133.82 25.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.414 -0.217 . . . . 15.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.21 119.86 6.25 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.503 2.135 . . . . 15.0 112.783 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -119.84 155.03 33.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 15.0 110.0 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.31 174.91 5.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.028 0.442 . . . . 15.0 111.144 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.6 t -101.32 122.06 52.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.608 -0.724 . . . . 15.0 109.315 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.3 p -79.58 -174.88 4.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.392 0.615 . . . . 15.0 111.676 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.404 ' HA ' HD12 ' A' ' 67' ' ' LEU . 13.9 t70 -67.79 -27.23 66.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.941 -1.027 . . . . 15.0 111.192 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -82.49 -51.14 8.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.049 0.452 . . . . 15.0 111.12 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.3 m -67.66 -19.48 65.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.002 -0.544 . . . . 15.0 111.327 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 64' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.463 0.191 0 CA-C-N 116.256 -0.429 . . . . 15.0 111.825 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.519 ' HB3' ' CZ ' ' B' ' 54' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.952 0.406 . . . . 15.0 110.972 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.556 ' HD3' ' OE1' ' B' ' 18' ' ' GLU . 21.2 Cg_exo -65.68 141.03 64.53 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.397 2.065 . . . . 15.0 111.656 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -85.14 13.99 5.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.03 0.443 . . . . 15.0 110.69 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -129.28 134.16 47.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 15.0 109.852 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 28.3 tp -55.14 -52.55 70.32 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 113.557 0.947 . . . . 15.0 113.557 -178.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.3 Cg_endo -53.67 -34.31 73.31 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.237 1.958 . . . . 15.0 112.862 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -83.34 -34.77 25.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.37 -0.377 . . . . 15.0 110.984 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.82 -37.75 85.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.322 -0.399 . . . . 15.0 110.624 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 45.3 m -62.63 -28.59 70.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.8 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -71.79 -42.19 67.41 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.702 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.556 ' OE1' ' HD3' ' B' ' 9' ' ' PRO . 3.5 mt-10 -66.73 -39.42 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.106 0.479 . . . . 15.0 110.398 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -77.27 -7.53 56.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.848 -0.614 . . . . 15.0 110.473 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 56.69 56.32 5.61 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.632 -0.713 . . . . 15.0 111.344 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.8 t -156.83 -171.11 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.783 -0.644 . . . . 15.0 109.339 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -115.55 174.91 5.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.728 0.299 . . . . 15.0 111.192 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.505 ' HA ' HG22 ' B' ' 26' ' ' ILE . 32.7 pt -73.9 4.65 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.67 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -104.15 -24.7 13.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.038 0.446 . . . . 15.0 110.246 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -107.12 -22.3 12.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.784 -0.644 . . . . 15.0 111.284 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.505 HG22 ' HA ' ' B' ' 23' ' ' ILE . 19.7 tt -65.54 131.54 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.447 0.642 . . . . 15.0 110.993 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 27.7 mm -121.93 121.82 65.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.782 -0.645 . . . . 15.0 110.224 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -125.76 160.12 30.6 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.624 -0.51 . . . . 15.0 109.624 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -122.22 155.63 35.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.53 0.205 . . . . 15.0 110.533 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' CYS . . . . . 0.728 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 45.1 t -68.18 145.16 54.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.097 -0.501 . . . . 15.0 110.933 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.479 HG23 ' HB2' ' B' ' 55' ' ' ARG . 6.7 p -76.92 -32.25 19.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.308 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -85.15 -71.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.122 0.416 . . . . 15.0 112.122 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 p -76.58 -16.1 59.68 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.585 0.231 . . . . 15.0 111.331 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.728 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 32.9 mttp 62.56 35.23 14.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.496 0.665 . . . . 15.0 111.385 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -91.99 146.8 23.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.813 -0.63 . . . . 15.0 109.721 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -72.97 122.41 21.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.713 0.292 . . . . 15.0 110.766 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -81.01 126.14 31.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.097 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.465 ' HG ' ' H ' ' B' ' 39' ' ' ARG . 13.7 tp -89.52 171.34 9.78 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.13 -0.486 . . . . 15.0 109.749 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.465 ' H ' ' HG ' ' B' ' 38' ' ' LEU . 1.8 ttt180 -48.44 -33.9 10.08 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 122.9 0.48 . . . . 15.0 111.518 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -59.67 -42.15 92.24 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.789 -0.641 . . . . 15.0 111.211 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.85 -35.07 26.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.65 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 38' ' ' LEU . 96.0 t -58.16 -42.18 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.073 0.463 . . . . 15.0 110.617 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -70.2 -38.78 75.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.647 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.88 -37.99 89.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.346 0.593 . . . . 15.0 109.884 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -64.22 -39.5 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.346 -0.843 . . . . 15.0 110.725 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.46 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -82.49 -12.86 57.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 15.0 111.739 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -69.49 -29.3 66.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.371 -0.377 . . . . 15.0 110.976 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -117.44 173.94 6.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.161 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -88.1 89.81 8.14 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.983 -0.747 . . . . 15.0 108.983 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.67 167.1 10.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.103 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 19.8 p -119.04 139.91 50.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.933 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.438 HG23 ' O ' ' B' ' 60' ' ' TYR . 19.4 mt -83.97 125.1 40.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.972 0.415 . . . . 15.0 110.657 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -93.03 136.53 24.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.657 -0.701 . . . . 15.0 110.216 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 53.9 m-85 -110.64 111.51 22.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.113 0.482 . . . . 15.0 111.79 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.479 ' HB2' HG23 ' B' ' 31' ' ' VAL . 4.6 tmm_? -94.8 122.44 37.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.617 -0.719 . . . . 15.0 109.126 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 18.3 t70 70.48 -70.64 0.15 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.046 0.841 . . . . 15.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.78 27.24 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.443 -0.663 . . . . 15.0 111.443 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -130.58 144.11 52.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 109.8 -0.445 . . . . 15.0 109.8 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.51 121.06 9.02 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.627 2.218 . . . . 15.0 112.551 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' TYR . . . . . 0.438 ' O ' HG23 ' B' ' 52' ' ' ILE . 29.2 m-85 -124.41 156.28 37.4 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.412 -0.588 . . . . 15.0 109.412 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' B' ' 30' ' ' CYS . . . -128.98 -177.16 4.1 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.813 0.34 . . . . 15.0 110.513 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.42 115.86 50.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.58 -0.896 . . . . 15.0 108.58 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 6.7 p -72.04 169.51 15.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.963 0.411 . . . . 15.0 111.316 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.481 ' HA ' HD12 ' B' ' 67' ' ' LEU . 30.3 t70 -57.58 -23.46 50.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.691 -0.686 . . . . 15.0 111.631 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.45 ' H ' ' HD3' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -78.99 -55.04 5.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.811 -0.631 . . . . 15.0 111.146 -179.355 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 66' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' B' ' 69' ' ' PHE . 24.6 m -74.7 -17.32 60.68 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.045 0.758 . . . . 15.0 113.045 -179.124 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' B' ' 64' ' ' ASP . 10.1 mt -53.62 -37.8 63.4 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.498 0.555 . . . . 15.0 112.498 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -11.68 59.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.33 . . . . 15.0 111.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' B' ' 66' ' ' CYS . 3.8 m-85 -75.34 -49.72 18.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.419 -0.355 . . . . 15.0 111.126 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.815 -179.105 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptt? . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 110.31 -0.256 . . . . 15.0 110.31 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.433 ' CE1' ' HG ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -149.3 95.86 2.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.1 0.476 . . . . 15.0 110.43 179.484 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -133.22 -171.01 2.58 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.7 -0.682 . . . . 15.0 109.726 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.502 ' CG ' ' HA ' ' A' ' 5' ' ' PRO . 25.3 t70 -48.78 144.3 7.27 Favored Pre-proline 0 N--CA 1.472 0.645 0 O-C-N 123.56 0.537 . . . . 15.0 110.642 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.502 ' HA ' ' CG ' ' A' ' 4' ' ' ASP . 6.1 Cg_exo -73.49 -4.5 16.17 Favored 'Cis proline' 0 C--N 1.349 0.59 0 C-N-CA 124.484 -1.048 . . . . 15.0 114.433 1.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 3' ' ' GLN . 28.3 mp0 -70.74 149.38 46.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.683 -0.488 . . . . 15.0 109.683 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -113.92 -5.83 13.2 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.612 0.227 . . . . 15.0 111.612 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 69.41 80.39 0.21 Allowed Pre-proline 0 N--CA 1.468 0.427 0 CA-C-O 121.088 0.471 . . . . 15.0 109.918 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.454 ' HD3' ' OE1' ' A' ' 18' ' ' GLU . 37.2 Cg_exo -61.64 153.84 64.26 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.629 2.219 . . . . 15.0 112.91 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -95.33 1.69 54.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.366 -0.834 . . . . 15.0 109.894 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 28.9 mmtp -117.91 139.56 50.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.674 -0.694 . . . . 15.0 110.742 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 25.2 tp -54.7 -54.38 49.83 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 112.863 0.69 . . . . 15.0 112.863 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 12.3 Cg_endo -56.02 -44.54 46.06 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.05 1.833 . . . . 15.0 112.638 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -68.79 -33.92 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 15.0 111.126 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.4 tp -60.66 -38.28 84.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.193 0.521 . . . . 15.0 109.695 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.0 m -70.15 -33.27 71.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.455 -0.793 . . . . 15.0 110.359 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -64.68 -47.5 78.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.288 -0.415 . . . . 15.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.454 ' OE1' ' HD3' ' A' ' 9' ' ' PRO . 8.7 mt-10 -68.79 -31.46 70.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.412 -0.358 . . . . 15.0 110.99 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.433 ' HG ' ' CE1' ' A' ' 2' ' ' PHE . 1.2 mt -80.23 -2.26 44.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 15.0 110.723 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 58.44 44.27 18.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.913 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.4 t -145.65 -174.41 4.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -111.95 166.56 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.447 -0.342 . . . . 15.0 110.469 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.415 ' HA ' HG22 ' A' ' 26' ' ' ILE . 18.1 mt -70.4 -13.8 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 15.0 110.093 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -87.22 -13.42 43.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 15.0 111.023 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -108.84 -38.39 5.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.857 0.317 . . . . 15.0 111.857 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.415 HG22 ' HA ' ' A' ' 23' ' ' ILE . 15.5 tt -66.63 126.05 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.357 0.599 . . . . 15.0 111.363 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.0 mm -113.42 122.03 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.991 -0.549 . . . . 15.0 109.657 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -102.35 159.95 14.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.756 0.312 . . . . 15.0 110.454 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -113.7 156.57 23.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.203 -0.453 . . . . 15.0 109.981 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 53.9 t -72.34 144.8 48.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.209 0.528 . . . . 15.0 110.625 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 p -82.18 -23.93 9.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.867 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -95.25 -61.33 1.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.627 0.603 . . . . 15.0 112.627 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.43 -10.51 43.53 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.801 -0.359 . . . . 15.0 111.656 -179.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 5.1 mptt 61.78 32.7 18.13 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.006 -0.543 . . . . 15.0 111.606 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.446 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 34.7 mm-40 -89.35 152.55 21.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.627 -0.508 . . . . 15.0 109.627 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -76.52 125.24 28.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.045 -0.354 . . . . 15.0 110.045 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mp -82.34 120.48 25.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.751 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -61.07 134.85 57.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.221 -0.659 . . . . 15.0 109.221 178.607 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -48.09 -39.04 19.08 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.405 0.44 . . . . 15.0 112.071 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -58.8 -39.99 82.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.05 0.452 . . . . 15.0 111.202 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -83.48 -22.4 32.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.845 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 38' ' ' LEU . 69.9 t -61.69 -33.67 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.142 0.496 . . . . 15.0 110.086 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -64.4 -23.65 67.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -67.01 -23.7 65.95 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.968 0.413 . . . . 15.0 110.194 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.77 -39.79 95.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.701 -0.682 . . . . 15.0 109.872 178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.85 -28.94 24.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.346 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -67.23 -43.43 82.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.628 -0.715 . . . . 15.0 110.338 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -103.07 -173.95 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.043 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -95.82 95.61 8.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 15.0 110.546 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.31 142.1 33.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.405 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.6 p -108.59 156.86 19.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.108 -0.496 . . . . 15.0 109.891 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.4 mt -79.45 122.85 35.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.043 0.449 . . . . 15.0 110.256 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.1 t -91.07 120.29 39.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.623 -0.717 . . . . 15.0 109.983 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.04 109.11 20.88 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.945 0.402 . . . . 15.0 110.298 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 4.3 tmm_? -92.69 114.28 26.79 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.237 -0.653 . . . . 15.0 109.237 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.2 t70 70.99 -68.02 0.23 Allowed 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.989 0.806 . . . . 15.0 111.05 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.8 23.12 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.234 -0.507 . . . . 15.0 112.307 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -132.46 147.68 66.61 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.193 -0.299 . . . . 15.0 110.193 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -75.1 118.51 5.27 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.544 2.163 . . . . 15.0 112.738 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CE1' ' HB3' ' A' ' 55' ' ' ARG . 67.6 m-85 -120.55 164.74 16.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.843 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -127.37 170.36 12.6 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.388 -0.369 . . . . 15.0 110.43 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.6 t -101.99 119.29 50.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.137 -0.69 . . . . 15.0 109.137 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 22.9 p -73.09 171.38 13.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.153 0.502 . . . . 15.0 111.385 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.15 -23.13 67.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.524 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.92 -57.89 3.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.686 -0.688 . . . . 15.0 110.548 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.439 ' HA ' ' CD2' ' A' ' 69' ' ' PHE . 34.9 m -73.27 -15.39 61.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.587 -0.733 . . . . 15.0 112.738 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.68 -44.69 48.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.486 0.551 . . . . 15.0 112.486 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.465 ' H ' ' HG2' ' A' ' 68' ' ' LYS . 1.7 pttp -79.13 -11.88 59.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.326 0.491 . . . . 15.0 112.326 -178.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.439 ' CD2' ' HA ' ' A' ' 66' ' ' CYS . 15.6 m-30 -75.65 -35.3 60.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 15.0 110.041 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.847 -0.597 . . . . 15.0 110.573 -179.539 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 81.7 mmm . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.249 -0.278 . . . . 15.0 110.249 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.475 ' HB3' ' CD ' ' B' ' 8' ' ' ARG . 2.2 m-85 -144.2 127.16 16.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.643 0.259 . . . . 15.0 110.369 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -131.64 -176.5 4.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.378 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ASP . . . . . 0.473 ' HB2' ' HA ' ' B' ' 5' ' ' PRO . 5.6 p-10 -72.28 159.28 85.81 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.788 -0.449 . . . . 15.0 109.788 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.473 ' HA ' ' HB2' ' B' ' 4' ' ' ASP . 6.9 Cg_endo -87.69 21.55 25.59 Favored 'Cis proline' 0 C--N 1.347 0.476 0 C-N-CA 124.631 -0.987 . . . . 15.0 113.575 0.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.457 ' HB3' ' OE2' ' B' ' 18' ' ' GLU . 69.1 mm-40 -61.51 145.21 52.64 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.511 -0.551 . . . . 15.0 109.511 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -81.06 -36.52 30.36 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.282 -0.266 . . . . 15.0 110.282 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.475 ' CD ' ' HB3' ' B' ' 2' ' ' PHE . 48.7 mtm180 55.74 76.72 0.48 Allowed Pre-proline 0 C--O 1.234 0.24 0 CA-C-N 115.828 -0.624 . . . . 15.0 111.593 178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.464 ' HD3' ' OE1' ' B' ' 18' ' ' GLU . 59.4 Cg_endo -74.84 176.0 10.43 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.546 2.164 . . . . 15.0 111.925 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -99.89 2.34 43.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.9 0.381 . . . . 15.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 49.8 mttm -108.85 127.82 54.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.201 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.521 ' HA ' HD11 ' B' ' 52' ' ' ILE . 32.8 tp -54.38 -52.63 67.57 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 113.286 0.847 . . . . 15.0 113.286 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 8.8 Cg_endo -51.52 -45.25 38.82 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.249 1.966 . . . . 15.0 112.756 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -68.89 -37.41 79.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.999 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.52 -37.72 87.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.973 0.416 . . . . 15.0 110.174 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m -64.03 -42.74 97.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.061 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.6 m -64.51 -38.75 92.1 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.09 -0.505 . . . . 15.0 110.67 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.464 ' OE1' ' HD3' ' B' ' 9' ' ' PRO . 23.2 tt0 -69.19 -37.64 78.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.505 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.48 ' HB3' HG22 ' B' ' 21' ' ' THR . 0.5 OUTLIER -78.08 -3.51 42.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.704 179.597 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 60.97 41.18 14.46 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.713 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.48 HG22 ' HB3' ' B' ' 19' ' ' LEU . 14.0 t -142.51 -173.63 3.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.779 -0.646 . . . . 15.0 109.977 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 58.2 p -111.96 169.79 8.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.778 0.323 . . . . 15.0 110.915 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 12.6 mt -69.62 -17.35 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.329 0.585 . . . . 15.0 110.364 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -82.53 -29.23 30.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.718 -0.674 . . . . 15.0 110.826 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -98.0 -25.32 15.01 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.706 0.632 . . . . 15.0 112.706 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.6 tt -61.05 138.11 22.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.313 0.578 . . . . 15.0 111.169 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mm -110.23 120.99 62.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.353 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.542 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.1 mp -119.4 148.23 43.46 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -114.98 151.79 33.53 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.324 -0.25 . . . . 15.0 110.324 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 50.7 t -76.61 138.34 40.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.09 0.471 . . . . 15.0 111.145 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' B' ' 60' ' ' TYR . 11.6 p -75.45 -18.86 15.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.689 -0.687 . . . . 15.0 110.54 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -104.49 -60.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.281 -0.418 . . . . 15.0 111.393 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -67.89 -24.41 65.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.429 -0.35 . . . . 15.0 111.284 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm 67.15 10.47 7.73 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.211 0.604 . . . . 15.0 111.189 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -98.04 170.94 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.709 -0.478 . . . . 15.0 109.709 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -84.93 131.01 34.55 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.86 0.362 . . . . 15.0 110.23 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mp -68.71 144.79 54.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.685 -0.689 . . . . 15.0 111.465 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.404 ' O ' HG23 ' B' ' 42' ' ' VAL . 15.4 mt -75.87 158.35 32.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.478 -0.783 . . . . 15.0 109.525 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -56.36 -37.34 69.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.991 0.424 . . . . 15.0 110.66 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -68.83 -34.92 76.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.778 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -70.88 -37.11 73.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.744 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 38' ' ' LEU . 59.8 t -64.17 -36.04 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.066 0.46 . . . . 15.0 109.827 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -65.77 -38.59 89.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.372 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -66.44 -42.15 88.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.847 -0.615 . . . . 15.0 109.885 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.59 -36.52 78.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.679 -0.691 . . . . 15.0 110.862 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.467 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -81.04 -17.94 48.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 15.0 111.238 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -84.25 -32.53 24.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.026 0.441 . . . . 15.0 110.289 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -86.52 160.1 19.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.021 -0.536 . . . . 15.0 110.264 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -83.74 45.88 1.11 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.866 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.96 162.15 13.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.58 . . . . 15.0 110.976 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 37.5 m -119.9 161.99 19.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.749 -0.66 . . . . 15.0 109.415 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.521 HD11 ' HA ' ' B' ' 12' ' ' LEU . 39.4 mt -80.12 126.21 39.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.825 0.345 . . . . 15.0 110.874 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.25 119.91 39.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.366 0.603 . . . . 15.0 109.938 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -93.72 110.51 22.14 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.694 -0.685 . . . . 15.0 110.246 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.474 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 3.3 mmm180 -122.77 130.61 53.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.071 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 9.5 t70 73.72 -26.67 0.19 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.727 0.642 . . . . 15.0 111.408 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' B' ' 55' ' ' ARG . . . 131.53 -6.99 5.59 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 111.627 -0.589 . . . . 15.0 111.627 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -103.34 137.09 19.16 Favored Pre-proline 0 C--N 1.32 -0.699 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.96 97.1 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.294 1.996 . . . . 15.0 111.576 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' TYR . . . . . 0.426 ' HB3' ' HB ' ' B' ' 31' ' ' VAL . 40.5 m-85 -96.33 156.62 16.26 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.066 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.542 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -130.94 -175.88 3.82 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.617 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.1 t -124.01 116.56 48.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.114 -0.698 . . . . 15.0 109.114 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.53 169.85 17.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.645 0.26 . . . . 15.0 110.743 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.77 -26.78 58.32 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.136 -0.484 . . . . 15.0 111.522 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 2.0 mppt? -62.86 -57.87 9.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.989 -0.55 . . . . 15.0 110.902 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -31.06 61.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.978 0.418 . . . . 15.0 111.123 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.8 mt -57.99 -34.68 70.24 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 112.892 0.701 . . . . 15.0 112.892 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 52.1 pttt -73.09 -20.95 60.85 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.678 -0.409 . . . . 15.0 111.635 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -77.72 -26.35 49.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.717 0.294 . . . . 15.0 111.388 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.669 -0.682 . . . . 15.0 111.003 -178.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.546 0.212 . . . . 15.0 111.267 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.79 143.75 26.21 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 110.129 -0.323 . . . . 15.0 110.129 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.4 -173.53 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.043 0.449 . . . . 15.0 110.891 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -126.57 139.29 34.35 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.978 -0.555 . . . . 15.0 110.065 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -87.72 -54.99 0.14 OUTLIER 'Cis proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.736 -1.36 . . . . 15.0 112.699 -0.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 65.71 9.56 6.06 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.945 -0.571 . . . . 15.0 111.61 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 70.93 -46.44 0.63 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.383 0.673 . . . . 15.0 111.639 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.0 mtm-85 65.45 75.59 0.34 Allowed Pre-proline 0 C--O 1.234 0.241 0 C-N-CA 123.171 0.588 . . . . 15.0 110.662 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.3 141.09 97.28 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.691 2.26 . . . . 15.0 112.083 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -96.34 14.42 24.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.667 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -119.24 128.75 54.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 15.0 110.512 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.52 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 44.0 tp -54.1 -51.06 80.71 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 113.361 0.874 . . . . 15.0 113.361 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.6 Cg_endo -54.07 -34.97 79.99 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.134 1.889 . . . . 15.0 113.092 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -83.27 -30.41 27.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 15.0 110.957 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.42 HD22 HD13 ' A' ' 52' ' ' ILE . 41.6 tp -64.92 -34.1 77.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 15.0 110.575 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.1 m -56.65 -35.92 68.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.686 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -33.99 75.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.912 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -67.18 -42.26 84.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.054 0.454 . . . . 15.0 110.313 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mp -81.92 -4.64 57.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.898 -0.592 . . . . 15.0 111.575 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 59.79 51.07 6.4 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.184 0.516 . . . . 15.0 110.275 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.496 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 14.6 t -152.06 179.64 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.835 -0.621 . . . . 15.0 110.273 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.9 p -106.13 175.68 5.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.716 0.293 . . . . 15.0 110.508 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mt -73.16 -9.8 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.421 0.629 . . . . 15.0 110.614 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -99.11 -2.88 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.598 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.496 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 11.5 t70 -132.6 -1.6 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.458 -0.337 . . . . 15.0 111.754 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 tt -75.72 111.38 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.648 0.737 . . . . 15.0 111.022 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.7 mm -89.65 90.58 3.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.654 -0.703 . . . . 15.0 110.137 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.662 HD23 ' HB2' ' A' ' 61' ' ' ALA . 5.0 tp -101.92 143.44 31.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.146 -0.479 . . . . 15.0 109.972 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -105.92 155.16 19.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.375 -0.375 . . . . 15.0 111.119 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 28.9 t -70.27 143.94 51.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.865 -0.607 . . . . 15.0 111.238 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.16 -34.02 67.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.782 -0.645 . . . . 15.0 111.944 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.619 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 41.3 m-85 -105.71 -48.37 3.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.411 0.523 . . . . 15.0 112.411 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.418 ' HB2' ' HG2' ' A' ' 35' ' ' GLN . 3.3 m -75.59 -26.38 57.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.698 0.285 . . . . 15.0 110.856 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 54.2 mttp 63.01 21.08 12.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.649 -0.705 . . . . 15.0 111.005 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.418 ' HG2' ' HB2' ' A' ' 33' ' ' CYS . 3.9 pt20 -91.17 150.79 21.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.191 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -72.94 121.33 19.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.164 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.78 136.69 45.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.783 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 42' ' ' VAL . 21.2 mt -77.27 158.66 30.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.622 -0.51 . . . . 15.0 109.622 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -59.12 -18.35 34.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.047 -0.524 . . . . 15.0 112.176 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.523 ' HB3' ' OE2' ' A' ' 41' ' ' GLU . 9.8 ttp180 -72.17 -51.52 20.87 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.956 0.408 . . . . 15.0 110.361 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.523 ' OE2' ' HB3' ' A' ' 40' ' ' ARG . 1.1 pm0 -68.98 -33.38 73.59 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 38' ' ' LEU . 79.9 t -62.64 -37.92 80.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 15.0 110.179 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -62.65 -43.03 99.84 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.281 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.92 -35.57 81.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.249 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -69.43 -33.49 73.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.721 -0.672 . . . . 15.0 110.633 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -80.05 -32.24 39.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.941 0.401 . . . . 15.0 111.281 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -73.14 -52.41 14.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.657 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -81.51 135.66 35.6 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.604 -0.517 . . . . 15.0 109.604 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -74.94 97.39 3.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.203 0.525 . . . . 15.0 110.513 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.7 mt -115.83 -175.46 2.73 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.617 -0.719 . . . . 15.0 109.634 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.94 135.22 54.41 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.416 -0.356 . . . . 15.0 110.158 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.439 HD11 ' HA ' ' A' ' 12' ' ' LEU . 56.9 mt -80.35 127.17 39.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.197 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.2 m -92.14 119.06 38.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.217 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -93.68 109.08 20.74 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 110.04 -0.356 . . . . 15.0 110.04 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.48 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -83.43 105.13 14.12 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.637 -0.875 . . . . 15.0 108.637 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 20.6 t70 75.92 -46.94 0.56 Allowed 'General case' 0 N--CA 1.47 0.543 0 O-C-N 124.18 0.925 . . . . 15.0 110.666 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.58 -15.31 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 116.009 -0.542 . . . . 15.0 111.889 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -88.71 140.49 29.64 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 120.651 0.262 . . . . 15.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -70.99 109.44 2.55 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.521 2.147 . . . . 15.0 111.901 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -111.83 148.01 34.51 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.18 -0.464 . . . . 15.0 110.219 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.662 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -106.16 165.94 10.87 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.121 -0.491 . . . . 15.0 110.64 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -106.82 112.13 38.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.087 -0.708 . . . . 15.0 109.087 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.543 ' SG ' ' HB3' ' A' ' 65' ' ' LYS . 28.7 p -69.18 169.65 11.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.86 0.362 . . . . 15.0 110.461 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.35 -21.75 65.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.244 0.545 . . . . 15.0 110.342 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.543 ' HB3' ' SG ' ' A' ' 63' ' ' CYS . 0.3 OUTLIER -76.9 -57.47 3.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.208 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 85.2 m -69.73 -18.71 63.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.893 -0.594 . . . . 15.0 111.456 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 tp -60.99 -30.49 70.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.271 0.558 . . . . 15.0 110.493 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -81.84 -13.95 56.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.747 -0.66 . . . . 15.0 110.839 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -77.23 -52.29 9.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 15.0 111.402 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 . . . . . 0 C--O 1.244 0.81 0 CA-C-O 118.523 -0.751 . . . . 15.0 111.136 -179.077 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.483 ' HA ' ' OD1' ' B' ' 58' ' ' ASN . 32.7 ttp . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.182 -0.303 . . . . 15.0 110.182 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -113.55 171.35 7.62 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.21 -0.293 . . . . 15.0 110.21 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -144.84 171.48 14.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.926 0.393 . . . . 15.0 110.968 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.74 146.06 98.3 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.925 -0.58 . . . . 15.0 109.886 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -97.31 36.76 6.72 Favored 'Cis proline' 0 C--N 1.349 0.555 0 C-N-CA 124.603 -0.999 . . . . 15.0 113.922 0.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.508 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 59.0 mt-30 -77.06 111.48 12.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.763 -0.458 . . . . 15.0 109.763 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' B' ' 8' ' ' ARG . 4.6 mm-40 -77.36 -20.39 54.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 15.0 111.483 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.508 ' HD3' ' O ' ' B' ' 6' ' ' GLN . 0.2 OUTLIER 73.4 132.94 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.548 0 O-C-N 123.827 0.704 . . . . 15.0 111.633 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.9 -166.03 0.36 Allowed 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.878 2.385 . . . . 15.0 112.059 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -126.66 0.52 6.79 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 122.04 -0.412 . . . . 15.0 111.578 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -124.15 139.46 53.91 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.163 -0.31 . . . . 15.0 110.163 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 26.2 tp -52.19 -52.69 60.12 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 113.018 0.747 . . . . 15.0 113.018 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 7.7 Cg_endo -51.27 -34.08 47.83 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.683 2.255 . . . . 15.0 112.987 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -79.83 -31.45 40.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 15.0 110.98 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.407 HD22 HD13 ' B' ' 52' ' ' ILE . 57.8 tp -68.47 -38.33 80.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.85 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 0.487 ' SG ' HG12 ' B' ' 23' ' ' ILE . 64.4 m -59.04 -39.88 83.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.289 -0.414 . . . . 15.0 110.767 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -35.33 80.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 15.0 111.153 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.51 -30.74 70.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.626 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -92.73 1.52 57.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.544 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 56.5 47.89 17.82 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.826 -0.625 . . . . 15.0 111.198 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 15.2 t -150.29 179.42 8.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.007 -0.542 . . . . 15.0 109.846 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 34.6 p -103.26 -179.69 4.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.814 0.34 . . . . 15.0 110.735 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.487 HG12 ' SG ' ' B' ' 16' ' ' CYS . 4.9 mt -81.17 -5.37 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.33 0.586 . . . . 15.0 110.568 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -83.79 -20.96 32.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.711 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -148.2 87.89 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.725 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.1 tt -139.01 140.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.987 -0.551 . . . . 15.0 110.285 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 39.0 mm -80.3 94.6 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.924 -0.398 . . . . 15.0 109.924 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -127.8 133.37 49.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.988 -0.551 . . . . 15.0 110.594 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -127.47 170.18 12.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.351 -0.386 . . . . 15.0 110.792 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 43.9 t -80.03 144.58 33.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.98 -0.554 . . . . 15.0 110.736 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 p -76.26 -27.86 17.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.622 -0.717 . . . . 15.0 111.856 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -106.77 -50.87 3.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.206 0.447 . . . . 15.0 112.206 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -76.84 -23.43 52.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.751 -0.204 . . . . 15.0 111.195 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.9 tptp 65.79 16.79 10.64 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.549 0.69 . . . . 15.0 110.539 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -86.57 136.89 32.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.69 -0.686 . . . . 15.0 109.948 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -69.35 124.52 24.08 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.25 -0.648 . . . . 15.0 109.25 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -70.97 139.44 50.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.202 0.525 . . . . 15.0 111.191 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.475 ' O ' HG23 ' B' ' 42' ' ' VAL . 13.1 mt -83.59 162.55 20.79 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.58 -0.896 . . . . 15.0 108.58 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -56.77 -32.44 65.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.733 0.302 . . . . 15.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -62.52 -36.98 84.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.992 -0.549 . . . . 15.0 110.663 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -82.7 -39.19 22.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.324 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 38' ' ' LEU . 60.0 t -64.71 -35.33 74.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.366 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -34.53 75.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.895 -0.593 . . . . 15.0 111.193 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -70.4 -39.81 74.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.194 0.521 . . . . 15.0 110.006 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -65.67 -33.37 75.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.519 -0.764 . . . . 15.0 110.662 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.456 ' HB2' HG21 ' B' ' 23' ' ' ILE . . . -77.21 -30.04 54.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.313 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -80.81 -54.15 5.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.09 -0.505 . . . . 15.0 110.746 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -88.19 119.6 28.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.193 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.03 105.88 0.26 Allowed 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.876 -0.602 . . . . 15.0 111.647 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.8 mt -132.48 160.38 36.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.669 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.79 139.6 33.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.993 0.425 . . . . 15.0 111.42 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.457 HD11 ' HA ' ' B' ' 12' ' ' LEU . 53.0 mt -81.88 135.9 24.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.727 -0.669 . . . . 15.0 110.203 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 39.8 t -100.45 114.0 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.24 -0.437 . . . . 15.0 109.932 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -99.3 110.38 22.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.795 0.331 . . . . 15.0 110.99 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -89.07 108.43 19.59 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.116 -0.698 . . . . 15.0 109.116 179.388 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 9.7 m-20 73.52 -72.2 0.12 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 124.105 0.878 . . . . 15.0 110.282 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.37 21.51 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.166 -0.54 . . . . 15.0 111.914 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.548 ' HB3' ' CE2' ' B' ' 60' ' ' TYR . 23.3 t30 -117.27 136.0 23.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.2 -0.296 . . . . 15.0 110.2 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 7.0 Cg_exo -72.71 117.52 5.16 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.784 2.323 . . . . 15.0 112.996 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' B' ' 58' ' ' ASN . 65.6 m-85 -127.92 145.31 51.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.141 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.61 176.31 5.17 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.115 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 14.8 t -96.93 112.1 28.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.83 -0.804 . . . . 15.0 108.83 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' B' ' 65' ' ' LYS . 29.2 p -72.23 171.55 11.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.084 0.469 . . . . 15.0 111.142 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -61.22 -26.63 67.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.462 -0.79 . . . . 15.0 110.177 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.435 ' HB2' ' SG ' ' B' ' 63' ' ' CYS . 4.8 mtpm? -73.11 -52.55 13.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.872 -0.604 . . . . 15.0 110.223 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 72.8 m -66.81 -32.43 73.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 15.0 111.025 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.0 -30.98 72.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.249 0.547 . . . . 15.0 109.898 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -80.68 -23.95 39.25 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.487 -0.779 . . . . 15.0 110.185 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -77.34 -49.34 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 15.0 111.18 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.588 -0.72 . . . . 15.0 110.995 -178.659 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.564 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 52.8 ttp . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.519 0.199 . . . . 15.0 110.481 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -94.88 158.45 15.48 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 110.203 -0.295 . . . . 15.0 110.203 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.47 162.54 32.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.433 -0.349 . . . . 15.0 111.175 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.463 ' CG ' ' HA ' ' A' ' 5' ' ' PRO . 16.8 t70 -62.43 146.61 93.19 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.955 -0.566 . . . . 15.0 109.908 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HA ' ' CG ' ' A' ' 4' ' ' ASP . 73.1 Cg_endo -93.43 28.14 17.48 Favored 'Cis proline' 0 N--CA 1.458 -0.576 0 C-N-CA 124.266 -1.139 . . . . 15.0 113.82 0.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -78.14 99.92 6.38 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.414 -0.587 . . . . 15.0 109.414 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.662 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 5.9 mm-40 -81.34 10.02 6.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.927 -0.579 . . . . 15.0 112.363 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.662 ' NH1' ' HA ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER 69.89 143.66 0.09 OUTLIER Pre-proline 0 N--CA 1.468 0.439 0 CA-C-O 121.174 0.511 . . . . 15.0 111.44 178.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -79.35 -153.05 0.04 OUTLIER 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.399 2.066 . . . . 15.0 111.897 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -122.33 -46.01 2.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.851 0.315 . . . . 15.0 111.851 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -106.9 163.9 12.57 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.174 0.511 . . . . 15.0 111.991 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.647 ' HA ' HD11 ' A' ' 52' ' ' ILE . 35.6 tp -60.4 -49.32 90.83 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.181 -0.918 . . . . 15.0 113.188 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.5 Cg_endo -50.79 -36.53 52.18 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.276 1.984 . . . . 15.0 112.413 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.594 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 9.0 mt-30 -73.12 -44.93 59.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.48 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.2 tp -57.54 -35.45 70.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.7 -0.682 . . . . 15.0 111.287 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.545 ' SG ' HG12 ' A' ' 23' ' ' ILE . 48.2 m -60.59 -41.14 94.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.039 0.447 . . . . 15.0 110.161 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.5 m -70.65 -40.64 72.91 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.988 -0.551 . . . . 15.0 110.755 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 17.6 mm-40 -62.85 -33.62 75.63 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.167 0.508 . . . . 15.0 110.083 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -85.9 0.22 53.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.683 -0.69 . . . . 15.0 110.982 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 58.33 46.79 14.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.068 -0.514 . . . . 15.0 111.222 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 t -151.74 -171.19 3.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.123 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -113.49 176.12 5.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.774 0.321 . . . . 15.0 110.511 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.545 HG12 ' SG ' ' A' ' 16' ' ' CYS . 4.4 mt -76.55 -3.7 5.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.313 0.578 . . . . 15.0 110.711 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -96.27 -19.43 19.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.225 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -128.95 20.25 5.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.102 0.477 . . . . 15.0 111.292 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 tt -82.59 131.91 32.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.255 0.55 . . . . 15.0 110.654 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -100.57 115.9 42.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.271 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tp -129.37 151.63 49.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.181 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -125.01 159.81 30.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.618 0.247 . . . . 15.0 110.523 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.4 t -72.25 143.99 48.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.102 0.477 . . . . 15.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -77.42 -23.4 14.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.698 -0.683 . . . . 15.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -107.12 -53.84 2.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.811 0.338 . . . . 15.0 111.901 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.6 m -78.44 -20.8 50.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.242 -0.435 . . . . 15.0 111.976 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 tptp 64.63 13.97 8.68 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.785 0.802 . . . . 15.0 109.981 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -79.07 141.8 37.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.437 -0.801 . . . . 15.0 109.964 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -72.31 119.0 15.89 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.915 -0.402 . . . . 15.0 109.915 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.439 ' HG ' ' HG3' ' A' ' 41' ' ' GLU . 7.5 mp -73.21 129.12 37.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.721 -0.672 . . . . 15.0 110.921 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.509 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 65.8 mt -82.46 170.16 15.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.974 -0.557 . . . . 15.0 109.977 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -61.58 -20.23 63.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.537 -0.301 . . . . 15.0 111.683 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HB3' ' OE1' ' A' ' 41' ' ' GLU . 6.8 ttp180 -67.21 -53.35 31.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.924 0.393 . . . . 15.0 110.347 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 1.2 pm0 -69.27 -29.84 67.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.435 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 38' ' ' LEU . 59.3 t -63.19 -42.8 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.2 -0.667 . . . . 15.0 109.2 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -68.65 -37.41 79.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.91 -0.586 . . . . 15.0 109.754 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -34.67 78.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.333 0.587 . . . . 15.0 109.696 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -69.69 -47.83 61.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.603 -0.726 . . . . 15.0 109.621 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.53 -19.53 65.31 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.861 -0.609 . . . . 15.0 111.471 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.23 -13.71 61.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.116 0.484 . . . . 15.0 110.656 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 61.1 mtt85 -126.28 -179.83 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.0 -0.545 . . . . 15.0 109.876 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.83 70.13 0.71 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.195 0.521 . . . . 15.0 110.277 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.26 159.87 14.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.562 -0.744 . . . . 15.0 110.62 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.9 p -99.97 146.91 26.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.08 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.647 HD11 ' HA ' ' A' ' 12' ' ' LEU . 76.0 mt -81.12 137.78 20.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.144 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 t -99.99 111.14 28.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.929 0.395 . . . . 15.0 110.088 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -96.8 109.05 21.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.385 -0.371 . . . . 15.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.4 114.37 28.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.066 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 71.3 -7.44 1.17 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.857 0.723 . . . . 15.0 111.964 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.79 -8.46 10.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.801 -0.714 . . . . 15.0 112.254 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.564 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 5.3 t30 -86.6 141.38 34.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.694 -0.484 . . . . 15.0 109.694 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 5.9 Cg_exo -75.2 96.48 1.03 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.558 2.172 . . . . 15.0 112.332 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -112.13 161.61 16.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.239 0.542 . . . . 15.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.56 -178.23 5.98 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.722 -0.672 . . . . 15.0 109.818 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 m -99.05 123.24 51.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.504 -0.554 . . . . 15.0 109.504 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.2 p -74.73 177.67 6.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.09 0.471 . . . . 15.0 110.613 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.19 -24.16 64.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.794 -0.639 . . . . 15.0 110.05 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -78.88 -57.68 3.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.348 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 84.1 m -56.9 -37.67 71.73 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.662 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -54.55 -42.35 70.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.11 0.481 . . . . 15.0 111.129 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -81.79 -33.93 30.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.71 -0.677 . . . . 15.0 111.921 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.6 m-30 -75.41 -28.96 59.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.524 0.564 . . . . 15.0 112.524 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.731 -0.652 . . . . 15.0 110.76 -179.315 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.452 ' HA ' ' OD1' ' B' ' 58' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.069 -0.345 . . . . 15.0 110.069 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.487 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -110.76 120.71 43.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.97 0.414 . . . . 15.0 110.438 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.443 ' HA ' ' NH1' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -139.93 -175.93 4.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.872 -0.604 . . . . 15.0 110.031 -179.548 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ASP . . . . . 0.476 ' OD1' ' HA ' ' B' ' 5' ' ' PRO . 29.0 t70 -45.46 140.9 3.96 Favored Pre-proline 0 N--CA 1.471 0.608 0 O-C-N 123.833 0.708 . . . . 15.0 111.72 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.476 ' HA ' ' OD1' ' B' ' 4' ' ' ASP . 83.3 Cg_endo -79.52 -4.41 38.96 Favored 'Cis proline' 0 C--N 1.347 0.452 0 C-N-CA 123.928 -1.28 . . . . 15.0 113.995 1.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.41 ' HG3' ' HB3' ' B' ' 18' ' ' GLU . 27.6 mp0 -63.77 120.65 12.27 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.943 -0.392 . . . . 15.0 109.943 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -87.24 -16.67 34.57 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.303 -0.408 . . . . 15.0 111.483 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' B' ' 2' ' ' PHE . 0.5 OUTLIER 69.17 86.35 0.12 Allowed Pre-proline 0 N--CA 1.464 0.253 0 O-C-N 123.525 0.515 . . . . 15.0 111.285 179.282 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.61 177.32 8.87 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.509 2.139 . . . . 15.0 111.417 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -107.65 10.5 29.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.821 0.343 . . . . 15.0 110.93 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' B' ' 11' ' ' LYS . 69.3 mmtt -125.08 129.75 50.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 15.0 110.069 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 53.4 tp -52.05 -52.62 60.22 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 114.099 1.148 . . . . 15.0 114.099 -177.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 10.3 Cg_endo -52.46 -35.97 68.05 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.262 1.975 . . . . 15.0 112.951 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -79.94 -30.62 39.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.823 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.13 -35.53 79.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.117 0.484 . . . . 15.0 110.241 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 0.44 ' SG ' HG12 ' B' ' 23' ' ' ILE . 57.4 m -61.15 -41.67 97.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.66 -0.7 . . . . 15.0 110.788 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -39.15 92.51 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.374 -0.375 . . . . 15.0 110.951 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.41 ' HB3' ' HG3' ' B' ' 6' ' ' GLN . 4.5 mt-10 -65.74 -40.84 92.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.743 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.5 -7.98 57.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.209 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 65.71 37.76 5.61 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.555 -0.748 . . . . 15.0 111.827 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -143.92 -174.05 4.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.297 -0.41 . . . . 15.0 110.209 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 49.0 p -114.7 172.74 6.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.949 0.404 . . . . 15.0 111.757 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.478 ' HA ' HG22 ' B' ' 26' ' ' ILE . 9.4 mt -71.68 -5.46 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.029 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -97.6 -2.86 40.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.174 -0.467 . . . . 15.0 110.804 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -128.14 -34.92 2.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.769 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.478 HG22 ' HA ' ' B' ' 23' ' ' ILE . 20.3 tt -62.71 127.14 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 121.355 0.598 . . . . 15.0 111.706 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 49.9 mm -114.49 121.15 66.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.551 . . . . 15.0 109.664 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 mp -112.96 160.68 17.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.311 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -110.07 156.47 20.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.645 -0.252 . . . . 15.0 110.506 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' CYS . . . . . 0.582 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 52.5 t -72.15 144.09 48.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.077 0.465 . . . . 15.0 109.898 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.7 p -80.14 -22.96 11.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.169 -0.469 . . . . 15.0 111.083 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.407 ' HB2' ' SG ' ' B' ' 66' ' ' CYS . 61.1 m-85 -106.44 -49.48 3.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.896 -0.322 . . . . 15.0 111.524 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 m -81.99 -22.69 36.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.916 0.389 . . . . 15.0 110.496 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.582 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 5.7 mptt 62.59 20.36 11.94 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.405 -0.816 . . . . 15.0 111.302 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -92.12 156.65 17.21 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.542 -0.54 . . . . 15.0 109.542 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -74.68 126.74 31.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.999 0.428 . . . . 15.0 111.163 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -85.01 129.58 34.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.407 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.527 ' O ' HG23 ' B' ' 42' ' ' VAL . 68.6 mt -76.96 156.81 31.69 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.347 -0.612 . . . . 15.0 109.347 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -52.43 -29.33 23.91 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.156 0.285 . . . . 15.0 111.177 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -59.78 -49.04 79.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.389 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.411 ' H ' ' HG2' ' B' ' 41' ' ' GLU . 0.0 OUTLIER -71.3 -32.23 68.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.126 0.489 . . . . 15.0 109.785 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 38' ' ' LEU . 48.4 t -64.97 -34.88 73.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.68 -0.691 . . . . 15.0 110.491 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -66.8 -37.16 84.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.151 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -67.39 -31.11 71.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 15.0 109.872 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -62.45 -34.9 77.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.621 -0.718 . . . . 15.0 109.847 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.09 -24.29 24.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.651 -0.704 . . . . 15.0 110.7 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -74.6 -42.2 59.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.477 -0.783 . . . . 15.0 110.689 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -100.26 162.8 12.73 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.02 -0.536 . . . . 15.0 109.755 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -81.85 104.44 12.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.943 0.401 . . . . 15.0 110.462 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.8 mt -134.5 170.57 15.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.808 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.06 152.88 46.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.749 -0.66 . . . . 15.0 109.65 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 53.8 mt -80.37 128.77 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.072 0.463 . . . . 15.0 110.621 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.51 131.91 40.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.689 -0.687 . . . . 15.0 109.33 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -111.44 115.34 29.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.225 0.536 . . . . 15.0 111.542 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 6.1 tmm_? -103.39 113.28 26.64 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.696 -0.853 . . . . 15.0 108.696 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 0.7 OUTLIER 70.94 -77.53 0.05 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.92 0.762 . . . . 15.0 110.675 -179.524 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.12 23.77 0.28 Allowed Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.676 -0.57 . . . . 15.0 111.676 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.452 ' OD1' ' HA ' ' B' ' 1' ' ' MET . 6.5 m-20 -126.2 138.68 32.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.38 0.133 . . . . 15.0 110.779 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -74.78 117.6 4.99 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.654 2.236 . . . . 15.0 111.757 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -115.24 171.38 7.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.206 -0.452 . . . . 15.0 110.115 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -128.64 -179.55 5.12 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.905 -0.589 . . . . 15.0 110.368 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 t -116.0 122.85 70.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.816 -0.629 . . . . 15.0 109.38 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 23.1 p -77.18 175.5 9.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.974 0.416 . . . . 15.0 111.112 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.03 -26.45 67.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.952 -0.567 . . . . 15.0 111.241 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -71.94 -59.08 2.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.013 -0.54 . . . . 15.0 111.33 -179.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 3.2 m -73.2 -22.71 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.578 0.584 . . . . 15.0 112.578 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 0.5 OUTLIER -50.62 -48.06 58.16 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.262 0.468 . . . . 15.0 112.262 -178.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.41 ' HG2' ' H ' ' B' ' 68' ' ' LYS . 26.5 pttt -79.99 -23.34 41.63 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.946 0.35 . . . . 15.0 111.946 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -77.35 -44.12 30.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.926 0.394 . . . . 15.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.314 -0.85 . . . . 15.0 111.076 -179.033 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 ptm . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.736 -0.468 . . . . 15.0 109.736 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -134.67 86.66 2.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.283 0.563 . . . . 15.0 110.818 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -125.1 -165.19 1.37 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.411 -0.813 . . . . 15.0 109.567 179.605 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -52.82 143.85 28.54 Favored Pre-proline 0 N--CA 1.467 0.401 0 O-C-N 123.367 0.417 . . . . 15.0 111.019 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -86.11 -0.28 64.51 Favored 'Cis proline' 0 C--N 1.346 0.395 0 C-N-CA 123.684 -1.382 . . . . 15.0 112.896 -0.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' GLN . 28.5 mp0 -59.75 126.33 27.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -96.77 -3.93 41.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.945 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 66.49 74.83 0.34 Allowed Pre-proline 0 N--CA 1.465 0.29 0 CA-C-N 115.757 -0.656 . . . . 15.0 110.34 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.41 ' CD ' ' HG3' ' A' ' 18' ' ' GLU . 25.4 Cg_exo -62.61 157.7 45.53 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.649 2.233 . . . . 15.0 112.055 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -96.85 1.37 50.53 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.537 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -118.5 136.17 53.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.463 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.544 HD21 HG13 ' A' ' 42' ' ' VAL . 14.3 tp -55.36 -50.49 86.44 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 113.788 1.032 . . . . 15.0 113.788 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.1 Cg_endo -54.74 -43.13 62.08 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.132 1.888 . . . . 15.0 113.088 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -72.58 -30.47 64.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 15.0 110.772 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.488 HD23 HD11 ' A' ' 26' ' ' ILE . 31.5 tp -64.82 -34.18 77.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.031 0.443 . . . . 15.0 109.893 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.3 m -60.99 -39.77 90.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.168 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -64.77 -35.47 81.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.506 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' HG3' ' CD ' ' A' ' 9' ' ' PRO . 6.0 mm-40 -68.14 -36.59 79.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 15.0 110.303 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.4 mt -81.38 -6.81 59.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.991 -0.549 . . . . 15.0 110.647 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 63.1 40.37 9.11 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.768 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -145.42 -172.71 3.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.845 -0.616 . . . . 15.0 109.733 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.2 p -106.42 175.11 5.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.737 0.303 . . . . 15.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.415 ' H ' HG13 ' A' ' 23' ' ' ILE . 2.1 mt -72.29 1.39 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.132 0.491 . . . . 15.0 111.221 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -100.47 -7.98 23.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.071 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -123.4 -12.5 7.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.982 0.364 . . . . 15.0 111.982 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.488 HD11 HD23 ' A' ' 15' ' ' LEU . 10.0 tt -68.79 118.35 12.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.521 . . . . 15.0 110.974 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.6 mm -110.75 118.09 56.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.936 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -124.31 160.78 27.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.982 -0.553 . . . . 15.0 109.621 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -115.59 155.64 27.25 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.264 -0.174 . . . . 15.0 110.823 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 50.6 t -67.3 139.97 57.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 15.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.445 HG11 HG21 ' A' ' 53' ' ' VAL . 7.2 p -72.17 -31.21 38.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.631 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -95.62 -48.4 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.037 0.384 . . . . 15.0 112.037 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.2 m -83.09 -21.56 33.66 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.184 0.439 . . . . 15.0 112.184 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 4.4 mptt 58.65 45.13 16.43 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.578 0.704 . . . . 15.0 111.008 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -122.49 139.68 53.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.42 -0.809 . . . . 15.0 109.398 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -65.68 127.54 32.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.009 0.433 . . . . 15.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mp -83.33 142.83 30.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.508 -0.769 . . . . 15.0 110.909 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.438 ' O ' HG23 ' A' ' 42' ' ' VAL . 85.3 mt -85.29 163.92 18.33 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.003 -0.739 . . . . 15.0 109.003 178.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -60.18 -19.07 52.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.7 0.286 . . . . 15.0 111.228 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -61.73 -50.22 73.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.84 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -76.62 -27.98 55.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.592 -179.488 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.544 HG13 HD21 ' A' ' 12' ' ' LEU . 76.8 t -60.59 -40.43 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.035 -0.53 . . . . 15.0 110.374 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -68.79 -32.78 72.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.392 . . . . 15.0 110.57 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' OD1' ' HD2' ' A' ' 48' ' ' ARG . 4.5 t70 -67.86 -40.04 83.69 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.426 -0.583 . . . . 15.0 109.426 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -62.43 -34.09 76.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.167 -0.924 . . . . 15.0 110.472 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.03 -25.99 31.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.993 -0.549 . . . . 15.0 110.846 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -73.16 -54.79 7.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.09 -0.504 . . . . 15.0 109.818 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.404 ' HD2' ' OD1' ' A' ' 44' ' ' ASP . 33.6 mtt85 -82.99 162.94 21.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.823 -0.626 . . . . 15.0 109.7 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -91.98 103.23 15.77 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.657 -0.417 . . . . 15.0 110.744 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.0 mt -130.27 175.73 8.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.046 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.9 p -124.93 147.76 48.7 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.396 -0.366 . . . . 15.0 110.342 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.474 HD11 ' HA ' ' A' ' 12' ' ' LEU . 57.2 mt -81.11 125.92 39.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.738 0.304 . . . . 15.0 110.466 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.445 HG21 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -91.18 129.38 42.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.999 -0.546 . . . . 15.0 110.021 179.691 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -106.94 111.2 23.59 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.395 -0.366 . . . . 15.0 110.872 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.422 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 2.1 tmm_? -97.12 112.71 24.37 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.86 -0.793 . . . . 15.0 108.86 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 t70 63.9 19.86 11.94 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.629 0.728 . . . . 15.0 110.099 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.89 -8.39 70.53 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.498 -0.774 . . . . 15.0 112.508 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.49 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 1.2 t-20 -87.21 133.9 37.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.92 -0.4 . . . . 15.0 109.92 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.49 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 41.6 Cg_endo -67.99 116.84 4.52 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.678 2.252 . . . . 15.0 112.857 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' A' ' 55' ' ' ARG . 33.2 m-85 -121.9 163.92 18.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.63 -0.714 . . . . 15.0 109.823 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.52 -177.54 3.93 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.874 0.369 . . . . 15.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.8 t -114.49 122.04 67.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.036 -0.727 . . . . 15.0 109.036 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 27.6 p -75.86 -179.79 5.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.176 0.512 . . . . 15.0 111.454 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -70.61 -17.35 62.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.486 -0.779 . . . . 15.0 110.515 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -82.67 -52.79 6.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 15.0 110.108 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.7 m -73.32 -17.84 61.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.68 -0.691 . . . . 15.0 111.625 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 22.7 tp -50.81 -49.23 59.04 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.981 -0.554 . . . . 15.0 112.358 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.81 -12.08 59.79 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.012 0.375 . . . . 15.0 112.012 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -75.57 -44.98 40.43 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.76 0.281 . . . . 15.0 111.76 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 C--O 1.252 1.207 0 CA-C-O 119.166 -0.445 . . . . 15.0 110.872 -178.826 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ptt? . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.64 0.257 . . . . 15.0 110.375 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.423 ' HB3' ' HG2' ' B' ' 8' ' ' ARG . 0.2 OUTLIER -97.14 115.85 28.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.15 0.5 . . . . 15.0 111.355 -179.373 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -129.24 -175.21 3.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.217 -0.901 . . . . 15.0 109.26 179.28 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ASP . . . . . 0.543 ' CG ' ' HA ' ' B' ' 5' ' ' PRO . 21.9 t70 -53.61 145.92 27.43 Favored Pre-proline 0 N--CA 1.47 0.534 0 O-C-N 123.158 0.287 . . . . 15.0 110.56 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.543 ' HA ' ' CG ' ' B' ' 4' ' ' ASP . 3.0 Cg_exo -80.78 3.96 40.83 Favored 'Cis proline' 0 C--N 1.35 0.609 0 C-N-CA 124.332 -1.111 . . . . 15.0 113.95 1.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' B' ' 3' ' ' GLN . 27.1 mp0 -67.82 125.5 26.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.634 -0.506 . . . . 15.0 109.634 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -96.39 -13.15 23.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.83 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.423 ' HG2' ' HB3' ' B' ' 2' ' ' PHE . 0.8 OUTLIER 58.71 68.99 1.52 Allowed Pre-proline 0 C--O 1.238 0.454 0 N-CA-C 109.556 -0.535 . . . . 15.0 109.556 -179.158 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' B' ' 11' ' ' LYS . 10.3 Cg_endo -52.43 143.2 45.38 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.699 2.266 . . . . 15.0 111.884 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.613 ' N ' ' HD3' ' B' ' 10' ' ' ARG . 0.0 OUTLIER -77.98 20.08 0.38 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.87 -0.604 . . . . 15.0 111.119 -178.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' B' ' 9' ' ' PRO . 64.1 mmtt -131.87 123.8 28.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.266 -0.642 . . . . 15.0 109.266 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.516 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 36.1 tp -51.54 -50.47 76.65 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 113.479 0.918 . . . . 15.0 113.479 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 10.0 Cg_endo -53.59 -35.09 75.88 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 122.301 2.0 . . . . 15.0 113.213 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -86.26 -27.96 24.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 15.0 110.838 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.65 -35.02 79.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.149 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 34.4 m -64.54 -29.68 70.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.925 -0.579 . . . . 15.0 110.592 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -38.47 78.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.533 -0.303 . . . . 15.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -68.98 -23.41 64.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.269 0.557 . . . . 15.0 109.71 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 15.2 mt -94.21 -1.59 53.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.391 -0.822 . . . . 15.0 110.082 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 57.25 44.03 22.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.534 -0.757 . . . . 15.0 111.67 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.8 t -147.81 -172.86 4.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.401 -0.363 . . . . 15.0 110.548 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.7 p -118.36 172.04 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.775 0.322 . . . . 15.0 111.297 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.436 ' HA ' HG22 ' B' ' 26' ' ' ILE . 4.0 mt -72.34 -3.5 4.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.26 0.552 . . . . 15.0 111.273 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -102.07 7.9 41.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.03 0.443 . . . . 15.0 109.937 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -130.31 -39.09 1.35 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.994 -0.548 . . . . 15.0 111.294 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.436 HG22 ' HA ' ' B' ' 23' ' ' ILE . 12.0 tt -65.98 133.66 30.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.092 -0.503 . . . . 15.0 111.331 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 36.6 mm -124.43 129.03 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.133 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.7 mp -114.25 158.41 21.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.431 -0.35 . . . . 15.0 110.451 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.473 ' HB2' ' CE2' ' B' ' 60' ' ' TYR . 85.6 mt-10 -105.05 158.21 16.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.37 -0.377 . . . . 15.0 110.035 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 37.0 t -73.52 136.75 44.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.901 -0.407 . . . . 15.0 109.901 178.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.42 HG13 ' CD2' ' B' ' 32' ' ' TYR . 4.8 p -66.56 -23.54 31.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.753 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.544 ' HB2' ' SG ' ' B' ' 66' ' ' CYS . 67.6 m-85 -109.14 -53.52 2.64 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.04 0.385 . . . . 15.0 112.04 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 5.4 m -74.55 -22.6 58.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.726 0.298 . . . . 15.0 111.164 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 51.6 mttp 62.19 26.79 16.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.653 -0.703 . . . . 15.0 111.136 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -99.63 149.93 22.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.529 -0.76 . . . . 15.0 109.718 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -74.75 124.95 27.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.841 0.353 . . . . 15.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.74 130.76 36.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.035 -0.53 . . . . 15.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.85 157.05 38.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.974 -0.557 . . . . 15.0 109.502 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -55.8 -29.86 60.41 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.77 0.319 . . . . 15.0 110.588 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -58.44 -47.01 85.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 15.0 110.685 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.3 -33.51 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.799 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.5 -37.99 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 15.0 111.044 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -65.35 -40.76 94.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.574 -0.284 . . . . 15.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.09 -36.71 80.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.429 0.633 . . . . 15.0 109.394 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.418 ' HA ' HD12 ' B' ' 50' ' ' LEU . 82.9 t80 -60.42 -41.84 94.8 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.292 -0.867 . . . . 15.0 110.657 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.06 -25.54 40.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -44.19 69.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.541 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -81.07 162.22 23.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.106 -0.331 . . . . 15.0 110.106 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -84.07 78.24 9.79 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.247 -0.649 . . . . 15.0 109.247 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 45' ' ' PHE . 71.1 mt -110.28 -167.81 1.24 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.373 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 p -147.34 152.6 38.48 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.762 -0.458 . . . . 15.0 109.762 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 5.0 mp -80.21 122.97 36.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.587 -0.523 . . . . 15.0 109.587 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.6 t -90.41 127.82 42.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.578 -0.527 . . . . 15.0 109.578 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -94.09 111.07 22.75 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.043 0.449 . . . . 15.0 111.674 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -95.76 114.01 25.7 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.604 -0.887 . . . . 15.0 108.604 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 68.78 -78.06 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.92 0.762 . . . . 15.0 109.882 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.76 25.11 0.36 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.124 -0.56 . . . . 15.0 112.07 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -134.45 146.1 57.91 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.576 0.227 . . . . 15.0 110.783 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.76 117.58 4.87 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.941 2.427 . . . . 15.0 112.204 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' B' ' 29' ' ' GLU . 4.8 m-85 -119.42 162.84 18.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.062 -0.517 . . . . 15.0 109.953 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.57 179.51 4.2 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.881 0.372 . . . . 15.0 110.903 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.5 120.4 64.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.815 -0.63 . . . . 15.0 109.482 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' CYS . . . . . 0.6 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 30.7 p -72.93 175.65 6.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.982 0.42 . . . . 15.0 111.097 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.36 -23.54 67.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.818 -0.628 . . . . 15.0 110.804 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.43 ' HB2' ' SG ' ' B' ' 63' ' ' CYS . 18.9 mtpt -76.52 -58.07 3.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.951 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 29.4 m -70.3 -23.79 62.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.035 -0.53 . . . . 15.0 112.132 -178.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.6 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 9.7 tp -56.21 -46.85 79.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.739 0.304 . . . . 15.0 111.546 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -80.3 -24.83 39.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.84 0.352 . . . . 15.0 111.12 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -76.01 -46.46 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.5 0.556 . . . . 15.0 112.5 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.966 -0.54 . . . . 15.0 111.471 -178.436 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.428 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 28.6 ttm . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 110.184 -0.302 . . . . 15.0 110.184 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -124.78 104.58 8.71 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.638 -0.505 . . . . 15.0 109.638 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.9 -164.44 1.37 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.383 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.442 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 4.5 p-10 -55.28 157.14 6.84 Favored Pre-proline 0 C--O 1.236 0.348 0 O-C-N 123.237 0.336 . . . . 15.0 111.111 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HA ' ' HB2' ' A' ' 4' ' ' ASP . 83.4 Cg_endo -82.55 12.48 34.45 Favored 'Cis proline' 0 C--N 1.348 0.525 0 C-N-CA 123.856 -1.31 . . . . 15.0 113.325 0.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -64.96 151.94 44.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.18 -0.464 . . . . 15.0 110.365 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 43.4 tt0 -83.87 -33.0 24.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.013 -0.54 . . . . 15.0 110.905 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 7' ' ' GLU . 26.4 mtm180 68.84 72.89 0.33 Allowed Pre-proline 0 N--CA 1.465 0.312 0 O-C-N 123.771 0.669 . . . . 15.0 110.302 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.54 163.9 35.0 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.424 2.083 . . . . 15.0 112.201 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 2.2 mpt_? -96.59 -3.4 43.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.268 -0.424 . . . . 15.0 111.504 -178.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' OE1' ' A' ' 14' ' ' GLN . 51.8 mttm -107.78 133.74 51.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.563 -0.29 . . . . 15.0 110.252 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.4 tp -52.9 -51.57 73.13 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 113.257 0.836 . . . . 15.0 113.257 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.1 Cg_endo -55.88 -40.22 86.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 121.857 1.705 . . . . 15.0 112.551 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.473 ' OE1' ' HB2' ' A' ' 11' ' ' LYS . 93.6 mt-30 -69.19 -33.65 73.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.926 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.551 HD22 HD13 ' A' ' 52' ' ' ILE . 61.2 tp -64.89 -35.1 80.05 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.518 -0.549 . . . . 15.0 109.518 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -64.35 -40.21 95.41 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.743 -0.662 . . . . 15.0 109.995 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -44.3 96.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.585 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.08 -35.61 80.83 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.23 0.538 . . . . 15.0 110.336 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mt -82.18 -3.22 54.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.776 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 59.65 43.92 15.05 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.771 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.413 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 7.8 t -150.79 -174.18 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.001 -0.545 . . . . 15.0 110.568 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.4 p -111.54 175.56 5.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.993 0.425 . . . . 15.0 111.334 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.455 ' HA ' HG22 ' A' ' 26' ' ' ILE . 19.6 mt -69.68 -13.16 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -89.17 -6.86 56.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.007 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.413 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 29.3 t70 -120.96 -27.06 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.689 0.255 . . . . 15.0 111.689 -178.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.455 HG22 ' HA ' ' A' ' 23' ' ' ILE . 18.5 tt -58.09 124.35 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 121.396 0.617 . . . . 15.0 111.628 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.1 mm -106.6 117.09 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.855 -0.612 . . . . 15.0 110.54 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.614 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.4 mp -124.24 148.13 47.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.223 -0.444 . . . . 15.0 109.818 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -109.64 158.44 18.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.36 -0.382 . . . . 15.0 110.358 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 44.4 t -67.27 140.06 57.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.186 0.517 . . . . 15.0 110.966 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.42 -22.42 22.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.533 -0.758 . . . . 15.0 111.05 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -104.22 -63.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.453 ' HB2' ' HG2' ' A' ' 35' ' ' GLN . 28.1 m -68.61 -20.6 64.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.732 0.301 . . . . 15.0 111.667 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 47.5 mmtm 67.0 9.07 6.61 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.896 -0.593 . . . . 15.0 111.652 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.453 ' HG2' ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -87.62 151.63 22.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.505 -0.316 . . . . 15.0 110.32 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -69.42 134.79 49.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.165 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -81.21 141.41 34.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.45 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 42' ' ' VAL . 92.9 mt -81.0 167.65 19.57 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.998 -0.371 . . . . 15.0 109.998 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -61.84 -15.6 43.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.527 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 40' ' ' ARG . 9.5 mmm180 -75.6 -47.48 26.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.065 0.46 . . . . 15.0 110.333 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mp0 -71.4 -33.32 69.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.905 -0.589 . . . . 15.0 111.455 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 38' ' ' LEU . 51.1 t -62.4 -39.89 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.88 0.372 . . . . 15.0 110.771 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -66.67 -45.95 77.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.549 . . . . 15.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -61.31 -39.8 91.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.68 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -60.83 -36.46 79.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 15.0 111.09 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.56 -24.21 49.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 15.0 111.355 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.95 -24.61 48.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 15.0 110.527 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.474 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 46.6 mtt180 -87.17 174.13 8.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.422 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -104.24 21.93 15.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.221 0.534 . . . . 15.0 110.953 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.78 155.52 26.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.582 -0.736 . . . . 15.0 110.142 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.5 m -103.87 172.43 6.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.77 0.319 . . . . 15.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.551 HD13 HD22 ' A' ' 15' ' ' LEU . 16.6 mt -80.14 130.6 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.298 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -91.94 112.6 25.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.358 0.599 . . . . 15.0 110.435 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -93.57 107.48 19.33 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.185 0.517 . . . . 15.0 109.876 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -101.43 116.98 34.0 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.986 -0.746 . . . . 15.0 108.986 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 t70 72.06 -71.14 0.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 124.225 0.953 . . . . 15.0 110.498 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.25 29.27 0.11 Allowed Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.166 -0.774 . . . . 15.0 111.166 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.428 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 2.4 t-20 -133.31 134.28 23.83 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.152 -0.314 . . . . 15.0 110.152 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 6.7 Cg_exo -72.85 99.16 1.05 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.496 2.131 . . . . 15.0 111.222 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -97.74 159.66 14.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.311 -0.404 . . . . 15.0 110.144 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.614 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -117.12 168.01 10.66 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.926 -0.579 . . . . 15.0 110.339 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.0 t -116.32 114.31 45.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 108.954 -0.758 . . . . 15.0 108.954 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.34 164.96 25.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.26 -0.274 . . . . 15.0 110.26 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.491 ' O ' ' HE2' ' A' ' 68' ' ' LYS . 31.8 t70 -53.51 -31.59 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.405 . . . . 15.0 111.76 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 1.8 mtpt -57.27 -59.06 5.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 15.0 111.169 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -30.39 64.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.005 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.474 HD13 ' CZ ' ' A' ' 48' ' ' ARG . 10.0 mt -59.39 -36.12 75.21 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.066 0.765 . . . . 15.0 113.066 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' HE2' ' O ' ' A' ' 64' ' ' ASP . 2.2 ptpt -79.56 -27.99 41.2 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.746 -0.381 . . . . 15.0 111.168 -178.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -77.84 -26.13 49.2 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.926 0.343 . . . . 15.0 111.926 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.941 -1.028 . . . . 15.0 112.208 -177.97 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ptm . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 120.841 0.353 . . . . 15.0 110.269 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.407 ' CE1' ' HG ' ' B' ' 19' ' ' LEU . 0.4 OUTLIER -151.5 100.71 2.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.052 0.453 . . . . 15.0 109.98 179.453 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.41 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -136.91 -172.94 3.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.872 -0.604 . . . . 15.0 110.391 -179.582 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ASP . . . . . 0.42 ' CG ' ' HA ' ' B' ' 5' ' ' PRO . 20.9 t70 -46.01 141.46 4.43 Favored Pre-proline 0 N--CA 1.467 0.398 0 O-C-N 123.686 0.616 . . . . 15.0 111.343 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.42 ' HA ' ' CG ' ' B' ' 4' ' ' ASP . 74.4 Cg_endo -75.26 -4.96 21.93 Favored 'Cis proline' 0 C--N 1.348 0.541 0 C-N-CA 124.128 -1.197 . . . . 15.0 114.592 1.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' B' ' 3' ' ' GLN . 0.8 OUTLIER -66.5 112.04 3.89 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.889 -0.411 . . . . 15.0 109.889 179.425 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -76.83 -11.18 59.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.35 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.436 ' HB3' ' CE2' ' B' ' 54' ' ' TYR . 18.9 mtm180 68.65 81.69 0.2 Allowed Pre-proline 0 N--CA 1.465 0.315 0 CA-C-O 121.142 0.496 . . . . 15.0 110.835 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.464 ' CG ' ' HG3' ' B' ' 18' ' ' GLU . 12.6 Cg_exo -70.02 161.25 46.68 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.772 2.314 . . . . 15.0 111.926 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -99.22 5.64 46.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.783 0.325 . . . . 15.0 111.836 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -120.68 142.06 49.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.796 0.332 . . . . 15.0 110.695 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.471 HD23 ' HB2' ' B' ' 46' ' ' ALA . 39.8 tp -55.37 -53.63 59.89 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 113.251 0.834 . . . . 15.0 113.251 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.4 Cg_endo -55.16 -42.69 66.33 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.112 1.875 . . . . 15.0 112.435 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -67.98 -40.75 83.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 15.0 110.55 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.96 -38.68 86.75 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.966 -0.561 . . . . 15.0 110.572 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 64.6 m -62.4 -40.37 96.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 15.0 110.435 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m -64.24 -41.3 97.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.446 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' B' ' 9' ' ' PRO . 10.1 mm-40 -68.07 -34.7 76.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.445 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.407 ' HG ' ' CE1' ' B' ' 2' ' ' PHE . 2.9 mt -83.1 -1.82 53.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.531 . . . . 15.0 110.98 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 62.28 35.92 14.99 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.023 -0.535 . . . . 15.0 111.49 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.4 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 13.3 t -141.22 -173.05 3.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.425 -0.352 . . . . 15.0 110.422 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.08 164.98 15.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.572 -0.286 . . . . 15.0 110.405 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.23 -20.25 19.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 121.005 0.431 . . . . 15.0 111.974 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -87.15 -5.85 58.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.241 -0.287 . . . . 15.0 111.77 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.4 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 29.7 t70 -121.37 -31.9 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.709 0.263 . . . . 15.0 111.709 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 tt -58.35 135.13 22.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.402 0.62 . . . . 15.0 111.798 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 mm -122.05 114.76 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.797 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -114.5 156.75 24.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.276 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -115.52 159.5 21.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.321 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' CYS . . . . . 0.48 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 53.5 t -68.73 138.16 54.66 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.581 -0.525 . . . . 15.0 109.581 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.99 -24.85 33.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.853 0.359 . . . . 15.0 111.32 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -101.46 -67.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.831 0.348 . . . . 15.0 111.456 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' CYS . . . . . 0.437 ' SG ' ' NZ ' ' B' ' 65' ' ' LYS . 1.4 m -67.73 -18.56 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.969 -0.559 . . . . 15.0 112.08 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 61.1 mttp 56.05 37.03 28.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.607 0.718 . . . . 15.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -97.69 139.06 34.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.113 -0.948 . . . . 15.0 109.565 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -70.44 111.29 5.89 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.87 -0.418 . . . . 15.0 109.87 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mp -73.27 130.17 39.63 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.318 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.03 149.53 50.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.655 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -48.63 -39.36 23.85 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.45 0.469 . . . . 15.0 112.079 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.522 ' HA ' ' CD2' ' B' ' 43' ' ' TYR . 47.4 ttp180 -61.48 -43.02 99.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.716 0.293 . . . . 15.0 111.363 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.9 -31.65 71.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.045 0.45 . . . . 15.0 110.415 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.59 -34.06 65.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.709 -0.678 . . . . 15.0 110.945 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' B' ' 40' ' ' ARG . 16.9 m-85 -63.89 -27.08 68.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.464 -0.335 . . . . 15.0 111.078 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -26.93 66.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.955 0.407 . . . . 15.0 110.473 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.58 -31.76 70.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.627 -0.715 . . . . 15.0 110.116 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.471 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -85.99 -33.05 21.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.768 -0.651 . . . . 15.0 110.193 178.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -48.75 79.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.334 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -97.65 156.43 16.54 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.419 -0.586 . . . . 15.0 109.419 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -85.21 98.09 10.29 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.302 -0.559 . . . . 15.0 110.081 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.2 mt -126.61 169.31 13.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.799 -0.637 . . . . 15.0 110.084 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 72.8 m -113.93 146.0 40.7 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.248 -0.433 . . . . 15.0 110.225 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 47.1 mt -83.36 134.71 26.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.967 0.413 . . . . 15.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 m -97.12 136.42 27.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.288 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' B' ' 8' ' ' ARG . 23.9 m-85 -111.04 116.39 31.08 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.944 0.402 . . . . 15.0 111.299 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.444 ' NH1' ' HB2' ' B' ' 56' ' ' ASP . 0.4 OUTLIER -86.64 104.53 16.14 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.019 -1.104 . . . . 15.0 108.019 178.618 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.444 ' HB2' ' NH1' ' B' ' 55' ' ' ARG . 19.8 t70 68.72 -77.46 0.05 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.964 0.79 . . . . 15.0 110.245 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.95 21.32 0.88 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.749 -0.54 . . . . 15.0 111.749 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -121.39 138.35 28.08 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.429 0.157 . . . . 15.0 110.589 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -71.53 118.89 5.89 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.564 2.176 . . . . 15.0 112.059 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -124.37 164.46 19.59 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.184 0.516 . . . . 15.0 110.56 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.1 -174.65 2.63 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.299 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 t -123.34 121.75 63.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.321 -0.622 . . . . 15.0 109.321 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 31.0 p -70.02 170.78 10.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 15.0 111.131 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.42 -28.64 65.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.427 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.437 ' NZ ' ' SG ' ' B' ' 33' ' ' CYS . 0.1 OUTLIER -78.17 -52.79 8.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.133 -0.485 . . . . 15.0 111.088 -179.233 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 60.6 m -68.16 -23.99 64.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 15.0 111.348 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 15.8 tp -55.14 -52.96 61.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.15 0.5 . . . . 15.0 111.103 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -80.54 -14.18 58.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.054 -0.521 . . . . 15.0 111.322 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.28 -46.18 20.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.15 -0.477 . . . . 15.0 111.075 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.842 -0.599 . . . . 15.0 110.92 -179.289 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 ptt? . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.828 -0.434 . . . . 15.0 109.828 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.496 ' HB2' ' HD3' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -152.28 102.83 2.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.125 0.488 . . . . 15.0 110.516 179.203 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -132.1 -164.9 1.51 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.406 -0.815 . . . . 15.0 109.878 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.588 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 25.9 t70 -57.17 146.57 60.83 Favored Pre-proline 0 N--CA 1.47 0.54 0 N-CA-C 109.861 -0.422 . . . . 15.0 109.861 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.588 ' HA ' ' OD1' ' A' ' 4' ' ' ASP . 73.4 Cg_endo -76.98 -8.13 30.06 Favored 'Cis proline' 0 C--N 1.353 0.814 0 C-N-CA 124.35 -1.104 . . . . 15.0 114.248 1.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 3' ' ' GLN . 25.7 mp0 -59.41 131.29 50.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.956 -0.387 . . . . 15.0 109.956 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -91.97 -14.6 29.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.295 -0.411 . . . . 15.0 111.202 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.419 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 1.2 mtm180 68.36 79.67 0.22 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.399 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -75.72 163.9 32.95 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.544 2.163 . . . . 15.0 112.076 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -96.06 -5.24 41.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.387 -0.369 . . . . 15.0 110.458 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -106.12 128.27 53.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.152 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.583 HD23 ' HB2' ' A' ' 46' ' ' ALA . 19.8 tp -54.59 -48.98 93.68 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 112.983 0.734 . . . . 15.0 112.983 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 8.9 Cg_endo -52.01 -39.67 69.26 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.16 1.907 . . . . 15.0 112.463 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -75.96 -30.97 58.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.712 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.744 HD22 HD13 ' A' ' 52' ' ' ILE . 46.1 tp -65.23 -35.67 81.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.307 0.575 . . . . 15.0 109.801 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -64.9 -33.15 75.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.651 -0.704 . . . . 15.0 109.916 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -38.9 72.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.505 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -66.51 -38.46 87.26 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.135 0.493 . . . . 15.0 110.115 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mt -80.87 -8.65 59.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.856 -0.611 . . . . 15.0 110.849 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 59.04 48.7 10.41 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.805 -0.634 . . . . 15.0 110.913 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -147.09 -179.87 7.13 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.348 -0.387 . . . . 15.0 110.335 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.8 p -100.83 163.79 12.14 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.106 0.479 . . . . 15.0 111.304 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.428 ' HA ' HG22 ' A' ' 26' ' ' ILE . 16.2 mt -68.5 -14.47 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 115.673 -0.694 . . . . 15.0 111.305 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.64 -4.47 55.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.353 -0.385 . . . . 15.0 110.726 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -115.43 -34.78 4.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.36 -0.382 . . . . 15.0 111.559 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.428 HG22 ' HA ' ' A' ' 23' ' ' ILE . 18.4 tt -61.66 123.71 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.356 0.598 . . . . 15.0 111.429 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -115.94 104.4 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.899 -0.591 . . . . 15.0 109.791 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.489 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.2 tp -95.66 154.7 17.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.161 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -111.77 151.73 28.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.32 -0.4 . . . . 15.0 110.483 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.515 ' HB3' ' H ' ' A' ' 35' ' ' GLN . 46.4 t -70.89 139.16 50.69 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.715 -0.476 . . . . 15.0 109.715 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.501 HG23 ' HB2' ' A' ' 55' ' ' ARG . 9.5 p -80.92 -19.91 11.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.836 -0.62 . . . . 15.0 111.196 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -92.91 -67.83 0.84 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.219 0.452 . . . . 15.0 112.219 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' SG ' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -84.73 -9.25 58.39 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.435 0.532 . . . . 15.0 112.435 -178.378 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 13.1 mptt 59.98 62.11 1.73 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.436 0.636 . . . . 15.0 110.441 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.515 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 18.6 mm-40 -125.12 136.34 53.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.536 -0.756 . . . . 15.0 109.821 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -73.03 121.24 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.838 0.351 . . . . 15.0 110.648 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -86.12 132.81 33.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.638 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 42' ' ' VAL . 31.0 tp -80.23 160.01 25.73 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.135 -0.691 . . . . 15.0 109.135 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' HA ' ' HB ' ' A' ' 42' ' ' VAL . 2.5 ptm180 -53.1 -24.31 9.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.529 0.204 . . . . 15.0 111.46 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -59.31 -45.13 92.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.042 0.448 . . . . 15.0 110.714 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.85 -29.52 29.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.111 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 38' ' ' LEU . 97.4 t -61.12 -37.38 77.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.192 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -65.33 -36.11 83.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.496 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -67.38 -34.11 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 15.0 110.56 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -64.66 -34.4 78.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.598 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.583 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -85.24 -27.17 26.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 15.0 111.494 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -21.16 62.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 15.0 111.062 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -114.47 156.19 25.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.621 -0.511 . . . . 15.0 109.621 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -81.22 83.97 6.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.349 0.595 . . . . 15.0 110.455 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.0 mt -117.38 177.1 4.86 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.559 -0.746 . . . . 15.0 110.28 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.9 m -132.03 146.73 52.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.179 -0.464 . . . . 15.0 110.33 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.744 HD13 HD22 ' A' ' 15' ' ' LEU . 65.8 mt -80.69 135.61 24.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.993 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.421 HG21 HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -100.72 136.53 31.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.78 -0.645 . . . . 15.0 109.954 179.64 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 8' ' ' ARG . 56.7 m-85 -113.97 110.64 20.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.952 0.405 . . . . 15.0 111.791 -178.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' HB2' HG23 ' A' ' 31' ' ' VAL . 3.3 tmm_? -91.11 111.92 23.61 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.549 -0.908 . . . . 15.0 108.549 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 12.0 t70 71.71 -69.58 0.18 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.864 0.728 . . . . 15.0 110.89 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.75 34.93 0.16 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.968 -0.634 . . . . 15.0 112.205 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.453 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 29.9 t30 -137.14 133.67 18.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.496 ' HD3' ' HB2' ' A' ' 2' ' ' PHE . 37.4 Cg_endo -67.6 119.72 6.74 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.823 2.349 . . . . 15.0 112.229 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' ' 58' ' ' ASN . 36.7 m-85 -126.47 157.53 38.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.041 0.448 . . . . 15.0 110.611 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.489 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -114.75 -171.16 1.88 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.785 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 6.2 t -127.84 119.66 52.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.978 -0.749 . . . . 15.0 108.978 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 2.8 p -73.16 172.72 10.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 15.0 111.118 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -58.23 -24.13 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.643 -0.708 . . . . 15.0 112.234 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -73.93 -58.69 3.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.68 -0.236 . . . . 15.0 110.947 -179.339 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.433 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -73.61 -17.86 61.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.821 0.343 . . . . 15.0 111.845 -179.607 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 11.1 tp -53.18 -39.31 63.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.029 -0.532 . . . . 15.0 112.221 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -13.68 58.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.618 0.247 . . . . 15.0 111.479 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -76.92 -51.76 10.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.019 0.438 . . . . 15.0 110.532 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.032 -0.985 . . . . 15.0 110.54 -179.451 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ptm . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.777 0.322 . . . . 15.0 110.579 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.491 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -140.4 113.7 8.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.169 -0.469 . . . . 15.0 109.768 179.372 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.91 -168.33 2.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.893 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ASP . . . . . 0.549 ' OD1' ' HA ' ' B' ' 5' ' ' PRO . 37.2 t70 -42.07 139.54 1.71 Allowed Pre-proline 0 N--CA 1.471 0.605 0 C-N-CA 123.889 0.876 . . . . 15.0 112.27 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.549 ' HA ' ' OD1' ' B' ' 4' ' ' ASP . 80.8 Cg_endo -79.11 0.28 34.02 Favored 'Cis proline' 0 C--N 1.35 0.638 0 C-N-CA 123.618 -1.409 . . . . 15.0 113.983 0.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -71.88 110.21 6.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.963 0.411 . . . . 15.0 110.147 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -81.67 -15.84 53.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.508 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.491 ' HD3' ' O ' ' B' ' 2' ' ' PHE . 6.1 mtm180 68.44 89.77 0.09 OUTLIER Pre-proline 0 C--O 1.236 0.364 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.748 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.92 177.69 6.11 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.83 2.353 . . . . 15.0 112.493 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -102.49 -3.07 27.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.48 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' B' ' 14' ' ' GLN . 62.9 mmtt -102.84 136.29 42.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.953 -0.388 . . . . 15.0 109.953 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.65 ' HA ' HD11 ' B' ' 52' ' ' ILE . 12.7 tp -58.27 -53.68 63.59 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.605 0.594 . . . . 15.0 112.605 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.6 Cg_endo -56.66 -34.83 96.72 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.111 1.874 . . . . 15.0 112.204 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.41 ' HB2' ' HB2' ' B' ' 11' ' ' LYS . 2.0 tt0 -69.94 -35.34 74.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.759 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.412 HD22 HD13 ' B' ' 52' ' ' ILE . 22.6 tp -65.43 -34.57 78.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.039 0.447 . . . . 15.0 110.099 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 36.3 m -61.6 -33.08 73.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.704 -0.68 . . . . 15.0 110.279 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -44.16 72.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.036 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.02 -38.02 89.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 15.0 110.371 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.72 -6.67 54.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.954 -0.566 . . . . 15.0 111.145 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 57.95 44.58 19.51 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.108 -0.496 . . . . 15.0 112.202 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -150.03 -178.9 6.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.603 -0.271 . . . . 15.0 110.523 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -98.95 173.85 6.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.947 0.404 . . . . 15.0 110.607 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.432 ' H ' HG13 ' B' ' 23' ' ' ILE . 1.2 mt -78.4 2.73 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.467 0.651 . . . . 15.0 110.183 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -104.58 7.61 35.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.714 -0.676 . . . . 15.0 110.165 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -131.29 -32.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.969 -0.559 . . . . 15.0 111.887 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.5 tt -77.27 125.21 36.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.242 0.544 . . . . 15.0 111.527 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 49.8 mm -115.09 127.75 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 15.0 110.139 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.62 161.04 19.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.701 0.286 . . . . 15.0 110.686 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -111.47 156.89 20.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.561 -0.291 . . . . 15.0 110.69 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 48.6 t -69.45 139.18 53.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 15.0 110.23 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 6.8 p -73.26 -23.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.994 -0.548 . . . . 15.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -102.91 -60.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.743 0.306 . . . . 15.0 111.493 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 m -71.66 -21.49 61.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 15.0 111.463 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 93.6 mttt 64.17 17.78 10.88 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.08 -0.509 . . . . 15.0 111.083 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -90.91 158.73 16.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.357 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -77.43 132.5 38.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.863 0.363 . . . . 15.0 111.221 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -96.69 112.27 24.09 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.111 -0.495 . . . . 15.0 109.817 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.422 ' O ' HG23 ' B' ' 42' ' ' VAL . 71.5 mt -67.72 165.45 17.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.779 -0.452 . . . . 15.0 109.779 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -54.0 -21.71 8.81 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.772 0.32 . . . . 15.0 111.618 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -59.38 -49.61 77.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.994 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -82.34 -25.74 33.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.721 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 38' ' ' LEU . 89.7 t -62.15 -45.45 98.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.381 . . . . 15.0 110.174 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -69.98 -31.08 68.6 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -65.19 -38.58 90.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.538 0.685 . . . . 15.0 109.321 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.76 -43.07 69.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.915 -1.038 . . . . 15.0 110.454 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.441 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -75.43 -23.51 56.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.91 -0.586 . . . . 15.0 112.398 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -36.88 85.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.011 0.434 . . . . 15.0 110.477 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 -92.84 -140.14 0.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.615 -0.721 . . . . 15.0 109.106 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -147.42 84.61 1.57 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.211 0.529 . . . . 15.0 110.168 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mp -120.6 151.34 39.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.647 -0.706 . . . . 15.0 109.67 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 27.2 p -92.85 156.94 16.65 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.283 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.65 HD11 ' HA ' ' B' ' 12' ' ' LEU . 74.6 mt -80.34 131.57 33.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.085 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 5.9 t -91.06 117.09 33.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.129 -0.693 . . . . 15.0 109.129 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -94.31 110.56 22.31 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.214 0.53 . . . . 15.0 111.461 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.437 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -97.14 115.79 28.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.752 -0.832 . . . . 15.0 108.752 178.769 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 3.7 t70 71.53 -71.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.882 0.739 . . . . 15.0 111.064 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.79 22.66 0.1 OUTLIER Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.899 -0.667 . . . . 15.0 112.011 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.431 ' HA ' ' HD3' ' B' ' 59' ' ' PRO . 1.6 t30 -132.47 144.06 51.41 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 110.096 -0.335 . . . . 15.0 110.096 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 12.1 Cg_exo -69.49 122.88 9.63 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.665 2.244 . . . . 15.0 112.78 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -121.83 154.13 37.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.209 -0.663 . . . . 15.0 109.209 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.47 179.63 3.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.132 0.492 . . . . 15.0 111.14 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 25.9 t -119.41 123.22 70.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.606 -0.725 . . . . 15.0 109.456 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 6.4 p -77.78 171.98 14.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.905 0.383 . . . . 15.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.25 -31.72 65.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.652 -0.704 . . . . 15.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -56.93 5.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.866 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 37.1 m -69.59 -17.86 63.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 15.0 112.333 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.0 -48.96 67.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.779 0.323 . . . . 15.0 111.636 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -81.71 -11.47 59.03 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.288 -0.415 . . . . 15.0 111.617 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -72.46 -51.87 18.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.512 -0.313 . . . . 15.0 111.475 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.425 -0.798 . . . . 15.0 110.88 -178.443 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ptm . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 110.012 -0.366 . . . . 15.0 110.012 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -126.01 97.51 5.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.219 -0.446 . . . . 15.0 109.972 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -131.64 -165.36 1.57 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.943 -0.571 . . . . 15.0 110.472 -179.822 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.15 144.68 5.77 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 123.253 0.621 . . . . 15.0 111.556 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -81.95 7.21 43.22 Favored 'Cis proline' 0 C--N 1.352 0.743 0 C-N-CA 124.077 -1.218 . . . . 15.0 113.429 0.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 3' ' ' GLN . 25.3 mp0 -67.55 133.91 50.31 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.73 -0.47 . . . . 15.0 109.73 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -82.32 -21.56 36.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.154 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 63.41 72.77 0.53 Allowed Pre-proline 0 C--O 1.236 0.361 0 N-CA-C 109.563 -0.532 . . . . 15.0 109.563 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.91 161.08 38.07 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.593 2.195 . . . . 15.0 112.71 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -93.35 -5.22 50.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.833 -0.621 . . . . 15.0 110.975 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -115.2 133.15 56.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.105 0.479 . . . . 15.0 110.591 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.516 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 4.4 tp -53.22 -51.2 77.48 Favored Pre-proline 0 CA--C 1.538 0.515 0 N-CA-C 113.739 1.015 . . . . 15.0 113.739 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 7.7 Cg_endo -51.69 -37.97 65.41 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 122.214 1.943 . . . . 15.0 112.856 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -73.68 -36.53 65.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.477 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.418 HD22 HD13 ' A' ' 52' ' ' ILE . 54.4 tp -63.22 -35.06 79.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.864 -0.607 . . . . 15.0 111.117 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.5 m -54.49 -37.12 64.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.099 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -42.81 73.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.427 -0.352 . . . . 15.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.72 -33.81 75.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.974 0.416 . . . . 15.0 110.753 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -85.24 -3.83 58.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.757 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 56.95 57.11 4.85 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.853 -0.612 . . . . 15.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 15.3 t -158.67 -175.12 5.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.137 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.16 169.6 9.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.593 -0.276 . . . . 15.0 110.766 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.487 ' HA ' HG22 ' A' ' 26' ' ' ILE . 21.0 mt -67.38 -7.65 6.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.487 0.661 . . . . 15.0 111.449 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -95.96 -9.38 31.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.202 -0.454 . . . . 15.0 110.65 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.401 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 22.5 t70 -123.52 -30.51 3.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 15.0 111.989 -178.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.487 HG22 ' HA ' ' A' ' 23' ' ' ILE . 19.6 tt -57.54 126.04 14.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.511 0.672 . . . . 15.0 111.834 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.8 mm -125.44 120.07 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.468 -0.787 . . . . 15.0 109.719 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mp -118.38 160.87 20.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.315 -0.402 . . . . 15.0 110.382 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -110.43 156.82 20.29 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.344 -0.389 . . . . 15.0 110.352 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 41.1 t -68.29 140.09 55.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.967 0.413 . . . . 15.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.13 -31.66 54.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.439 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -105.79 -49.95 3.29 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.22 0.452 . . . . 15.0 112.22 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 m -77.19 -23.77 51.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.612 0.227 . . . . 15.0 111.612 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER 61.05 24.12 14.25 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.129 0.49 . . . . 15.0 110.954 -179.54 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -88.61 156.37 19.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.868 -0.606 . . . . 15.0 109.788 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -77.13 119.89 21.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.977 0.417 . . . . 15.0 111.064 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -86.47 112.99 22.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.83 -0.623 . . . . 15.0 109.878 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.62 158.87 26.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.758 -0.46 . . . . 15.0 109.758 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 39' ' ' ARG . 2.5 ptm180 -54.08 -21.07 7.59 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.859 0.318 . . . . 15.0 111.859 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -59.92 -47.28 86.44 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 110.133 -0.321 . . . . 15.0 110.133 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -75.95 -30.77 58.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 15.0 109.71 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.9 t -59.39 -41.22 83.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.312 -0.858 . . . . 15.0 110.305 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -64.67 -42.25 95.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.16 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.21 -30.26 70.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.93 -0.577 . . . . 15.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -65.24 -34.79 79.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.874 -0.603 . . . . 15.0 110.156 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.0 -35.0 22.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.937 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -69.66 -37.23 76.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.832 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -93.91 175.59 6.66 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.662 -0.496 . . . . 15.0 109.662 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -100.61 82.24 2.42 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.265 0.555 . . . . 15.0 109.667 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.6 mt -118.62 156.83 28.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.061 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.39 148.43 40.67 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.11 -0.495 . . . . 15.0 109.988 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.436 HD11 ' HA ' ' A' ' 12' ' ' LEU . 55.4 mt -80.29 137.55 21.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.874 -0.603 . . . . 15.0 110.752 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.422 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -116.22 115.23 48.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.587 -0.733 . . . . 15.0 109.841 179.5 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -93.12 110.21 21.7 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.966 -0.383 . . . . 15.0 109.966 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -91.67 111.69 23.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.764 -0.653 . . . . 15.0 109.919 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 t0 65.18 27.23 12.31 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.882 0.739 . . . . 15.0 111.005 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.37 31.23 47.1 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.741 -0.742 . . . . 15.0 112.552 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.432 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 2.1 m-20 -124.86 143.88 45.13 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 109.863 -0.421 . . . . 15.0 109.863 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 16.9 Cg_exo -66.28 105.86 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.611 2.207 . . . . 15.0 112.446 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 38.1 m-85 -125.6 154.72 41.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.44 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.83 179.39 5.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.211 -0.449 . . . . 15.0 110.328 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -105.92 118.35 53.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.561 -0.533 . . . . 15.0 109.561 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 30.2 p -73.1 175.58 6.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.321 0.581 . . . . 15.0 111.568 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.67 -24.92 67.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.294 -0.866 . . . . 15.0 110.698 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -80.0 -57.42 3.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.882 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.5 m -68.49 -17.43 64.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 15.0 112.186 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.5 OUTLIER -50.87 -49.02 60.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.324 0.49 . . . . 15.0 112.324 -179.802 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.9 -12.06 57.68 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.829 0.307 . . . . 15.0 111.829 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -77.43 -52.43 9.13 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.6 0.593 . . . . 15.0 112.6 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 . . . . . 0 C--O 1.244 0.802 0 CA-C-O 118.546 -0.74 . . . . 15.0 111.544 -177.775 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.789 -0.448 . . . . 15.0 109.789 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.588 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -141.3 116.14 9.76 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.78 -0.452 . . . . 15.0 109.78 179.802 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -125.74 -168.12 1.8 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.252 -179.566 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ASP . . . . . 0.467 ' HB2' ' HA ' ' B' ' 5' ' ' PRO . 9.1 p-10 -61.54 158.27 41.0 Favored Pre-proline 0 C--O 1.234 0.278 0 O-C-N 123.385 0.428 . . . . 15.0 110.411 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.467 ' HA ' ' HB2' ' B' ' 4' ' ' ASP . 37.7 Cg_endo -65.93 -10.32 6.22 Favored 'Cis proline' 0 N--CA 1.48 0.701 0 C-N-CA 124.388 -1.088 . . . . 15.0 114.141 1.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.445 ' HG2' ' CZ ' ' B' ' 2' ' ' PHE . 27.3 mp0 -67.05 147.13 53.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.786 0.327 . . . . 15.0 110.248 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -114.36 -12.27 12.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.571 -0.286 . . . . 15.0 110.754 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.588 ' HD3' ' O ' ' B' ' 2' ' ' PHE . 2.5 mtm180 64.86 78.86 0.26 Allowed Pre-proline 0 N--CA 1.465 0.286 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.607 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -63.39 159.6 39.25 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.158 1.905 . . . . 15.0 112.064 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -86.03 3.24 43.2 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.154 -0.475 . . . . 15.0 111.171 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -114.37 127.98 56.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.36 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 16.0 tp -51.65 -52.23 62.46 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 113.329 0.862 . . . . 15.0 113.329 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.8 Cg_endo -55.34 -37.6 94.47 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.186 1.924 . . . . 15.0 113.147 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -78.54 -32.06 47.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.998 0.427 . . . . 15.0 110.701 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -66.23 -35.49 80.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 15.0 109.936 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 61.2 m -62.17 -36.69 82.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.786 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.76 -40.28 84.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.462 -0.336 . . . . 15.0 110.725 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.42 -36.16 82.12 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.245 0.545 . . . . 15.0 109.865 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.67 -6.6 52.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.473 -0.785 . . . . 15.0 110.552 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 59.6 43.02 16.39 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.652 -0.704 . . . . 15.0 110.612 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -149.17 -172.2 4.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.519 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.0 p -112.91 172.5 6.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.821 0.343 . . . . 15.0 111.168 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 19.7 mt -68.96 -18.18 22.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.262 0.553 . . . . 15.0 110.682 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -80.13 -20.43 44.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.875 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -109.24 -19.88 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.019 0.378 . . . . 15.0 112.019 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 16.8 tt -63.74 135.36 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.267 0.556 . . . . 15.0 111.07 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 mm -124.22 128.51 73.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.619 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mp -133.04 160.1 38.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.265 -0.643 . . . . 15.0 109.265 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -116.17 157.71 24.4 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.646 -0.131 . . . . 15.0 110.646 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 46.7 t -67.34 136.95 55.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.126 0.488 . . . . 15.0 110.764 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.451 HG23 ' HG2' ' B' ' 55' ' ' ARG . 6.5 p -67.63 -24.13 30.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.375 -0.829 . . . . 15.0 111.606 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.4 ' CD2' HG13 ' B' ' 31' ' ' VAL . 63.4 m-85 -108.05 -49.86 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.032 0.382 . . . . 15.0 112.032 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 2.9 m -80.7 -21.73 40.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.818 0.303 . . . . 15.0 111.818 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 64.12 19.15 11.64 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.124 0.487 . . . . 15.0 111.109 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -88.35 145.9 25.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.057 -0.52 . . . . 15.0 109.846 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -70.01 121.61 17.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.988 0.423 . . . . 15.0 110.635 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -83.54 120.72 26.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.557 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.413 ' O ' HG23 ' B' ' 42' ' ' VAL . 39.2 mt -71.69 157.63 37.6 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.171 -0.677 . . . . 15.0 109.171 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 39' ' ' ARG . 0.6 OUTLIER -54.35 -24.22 18.55 Favored 'General case' 0 C--O 1.225 -0.235 0 O-C-N 123.016 0.198 . . . . 15.0 111.18 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -58.13 -43.48 87.27 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.943 0.401 . . . . 15.0 110.214 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.4 -34.09 31.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.75 -0.659 . . . . 15.0 109.809 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 38' ' ' LEU . 52.7 t -60.9 -37.6 77.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.673 -0.694 . . . . 15.0 110.254 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -64.97 -42.24 94.74 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.626 -0.509 . . . . 15.0 109.626 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -64.43 -39.03 93.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.696 -0.684 . . . . 15.0 109.889 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -64.31 -35.53 81.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.372 -0.831 . . . . 15.0 110.922 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.07 -26.17 29.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.266 -0.424 . . . . 15.0 111.226 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -69.99 -38.07 75.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.139 0.495 . . . . 15.0 110.059 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -87.14 -177.67 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.699 -0.682 . . . . 15.0 109.198 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -109.99 85.67 2.15 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -125.15 163.35 22.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.749 -0.659 . . . . 15.0 110.697 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 13.1 m -109.8 152.66 25.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.653 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 53.6 mt -84.63 122.76 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.086 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 17.0 t -90.66 113.68 26.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.112 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -92.97 109.06 20.5 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.955 0.407 . . . . 15.0 110.591 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.451 ' HG2' HG23 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -80.93 108.41 14.58 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 108.803 -0.814 . . . . 15.0 108.803 179.324 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 20.4 t70 69.79 -76.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 124.066 0.854 . . . . 15.0 110.539 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.1 32.48 0.37 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.082 -0.58 . . . . 15.0 112.273 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -133.6 137.1 28.09 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.234 -0.284 . . . . 15.0 110.234 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.63 114.81 2.22 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.824 2.35 . . . . 15.0 112.516 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -127.29 148.32 50.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.011 -0.54 . . . . 15.0 109.837 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.33 177.16 5.29 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.549 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 3.6 t -111.15 122.41 65.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.709 -0.478 . . . . 15.0 109.709 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.45 168.99 16.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.792 0.33 . . . . 15.0 110.585 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.37 -29.52 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.657 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -69.33 -57.72 4.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 15.0 110.607 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 58.8 m -66.6 -23.41 66.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.0 -0.545 . . . . 15.0 111.904 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' B' ' 67' ' ' LEU . 13.3 mt -58.48 -39.48 80.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.17 0.51 . . . . 15.0 111.577 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -82.65 -25.91 32.66 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.209 -0.45 . . . . 15.0 111.036 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -78.74 -42.68 27.52 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.806 0.669 . . . . 15.0 112.806 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.529 -0.748 . . . . 15.0 111.197 -178.64 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.471 ' HB2' ' OE1' ' A' ' 3' ' ' GLN . 19.8 ptm . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.957 0.408 . . . . 15.0 110.765 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -140.2 82.28 1.85 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.412 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.471 ' OE1' ' HB2' ' A' ' 1' ' ' MET . 0.1 OUTLIER -111.85 -158.65 0.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.028 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.54 157.22 48.39 Favored Pre-proline 0 CA--C 1.536 0.434 0 O-C-N 123.184 0.302 . . . . 15.0 110.792 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.18 -1.49 15.58 Favored 'Cis proline' 0 C--N 1.352 0.763 0 C-N-CA 123.957 -1.268 . . . . 15.0 113.735 1.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 3' ' ' GLN . 27.4 mp0 -63.24 126.96 29.14 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -81.54 -11.89 59.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.031 -0.531 . . . . 15.0 110.586 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.86 71.6 0.8 Allowed Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 15.0 109.75 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.07 154.6 73.99 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.229 1.952 . . . . 15.0 112.054 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -90.79 4.07 52.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.953 0.406 . . . . 15.0 110.507 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -115.22 127.6 55.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.64 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.55 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 13.1 tp -52.58 -49.08 87.99 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 115.163 -0.926 . . . . 15.0 113.395 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 7.8 Cg_endo -51.68 -34.4 53.44 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.471 2.114 . . . . 15.0 113.072 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -81.09 -36.23 30.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.491 -0.322 . . . . 15.0 110.71 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.608 HD22 HD13 ' A' ' 52' ' ' ILE . 59.0 tp -60.34 -35.34 75.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.574 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -59.05 -39.2 81.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.809 -0.632 . . . . 15.0 110.318 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.05 -36.21 74.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 15.0 110.78 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -66.38 -38.33 87.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.603 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 mt -87.77 0.34 55.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 15.0 110.821 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 56.07 51.74 11.49 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.734 -0.666 . . . . 15.0 111.827 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -153.26 -174.69 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.916 -0.401 . . . . 15.0 109.916 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.8 p -111.71 169.26 8.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.852 0.358 . . . . 15.0 111.596 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.8 mt -66.59 -16.38 20.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.835 -0.62 . . . . 15.0 110.708 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -92.87 2.99 56.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.796 -0.638 . . . . 15.0 111.346 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -133.21 -27.34 1.6 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.938 0.348 . . . . 15.0 111.938 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.4 tt -65.33 127.98 27.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.307 0.575 . . . . 15.0 111.009 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 mm -116.91 128.24 74.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.123 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mp -130.17 148.89 52.06 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.882 -0.599 . . . . 15.0 109.967 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -106.56 159.44 16.18 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.118 -0.327 . . . . 15.0 110.118 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 43.4 t -67.25 143.11 56.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.163 0.506 . . . . 15.0 110.673 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.54 -29.25 37.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.822 -0.626 . . . . 15.0 111.231 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -105.41 -45.57 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.089 0.403 . . . . 15.0 112.089 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.5 m -83.07 -23.85 32.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.682 0.277 . . . . 15.0 111.609 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 5.2 mptt 63.21 20.76 12.47 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.049 -0.523 . . . . 15.0 111.222 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -87.81 144.75 26.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.079 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -71.01 113.71 8.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.661 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.51 135.98 52.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.026 0.441 . . . . 15.0 110.188 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.0 mt -74.02 159.75 32.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.963 -0.562 . . . . 15.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -53.19 -36.88 61.44 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.194 0.308 . . . . 15.0 111.603 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -65.7 -38.69 89.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.483 -0.326 . . . . 15.0 110.614 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.1 -33.77 76.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.116 0.484 . . . . 15.0 109.732 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 38' ' ' LEU . 26.4 t -67.37 -37.56 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.104 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -67.42 -41.21 85.22 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.015 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.418 ' HB2' HH21 ' B' ' 40' ' ' ARG . 1.1 t70 -63.03 -33.68 75.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.522 -0.763 . . . . 15.0 110.221 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -61.92 -32.74 73.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.659 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.13 -25.5 27.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.786 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -50.17 16.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.136 -0.484 . . . . 15.0 109.935 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -80.76 143.75 32.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.135 -0.691 . . . . 15.0 109.135 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -77.53 95.31 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.094 0.474 . . . . 15.0 110.084 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.9 mt -127.15 -179.9 5.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.81 -0.632 . . . . 15.0 110.862 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.7 p -131.32 151.78 51.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.792 -0.64 . . . . 15.0 110.063 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.608 HD13 HD22 ' A' ' 15' ' ' LEU . 25.9 mt -85.37 128.09 39.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.438 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.6 m -102.14 114.57 41.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.242 0.544 . . . . 15.0 110.257 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -94.35 110.2 21.99 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.396 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -84.75 113.53 21.39 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.9 -0.778 . . . . 15.0 108.9 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.59 -81.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 124.013 0.821 . . . . 15.0 110.622 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.75 38.61 0.51 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.067 -0.813 . . . . 15.0 111.067 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.423 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 1.5 m-20 -137.16 145.17 49.0 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 110.177 -0.305 . . . . 15.0 110.177 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 5.9 Cg_exo -74.1 106.67 2.26 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.456 2.104 . . . . 15.0 112.371 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -113.49 154.35 27.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.376 -0.375 . . . . 15.0 110.041 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.61 178.85 4.52 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.915 0.388 . . . . 15.0 110.545 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -117.74 119.41 61.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.308 -0.627 . . . . 15.0 109.308 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.7 p -73.7 169.78 16.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.083 -0.34 . . . . 15.0 110.083 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.12 -16.7 54.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.326 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 30.5 mtpt -75.41 -58.8 3.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.277 0.56 . . . . 15.0 110.27 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -72.57 -21.82 61.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.358 -0.837 . . . . 15.0 111.693 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.4 mt -56.0 -32.07 63.63 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.56 0.578 . . . . 15.0 112.56 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 1.8 pttp -82.13 -26.38 33.57 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.503 -0.479 . . . . 15.0 110.558 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -78.49 -44.01 25.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 15.0 111.874 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 C--O 1.241 0.613 0 CA-C-O 118.252 -0.88 . . . . 15.0 111.31 -177.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 109.907 -0.405 . . . . 15.0 109.907 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.521 ' HB2' ' HD3' ' B' ' 59' ' ' PRO . 0.1 OUTLIER -154.33 137.89 15.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.134 -0.321 . . . . 15.0 110.134 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -127.23 -172.2 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.15 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ASP . . . . . 0.505 ' HB2' ' HA ' ' B' ' 5' ' ' PRO . 0.7 OUTLIER -72.69 162.97 71.56 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 115.706 -0.679 . . . . 15.0 109.719 179.51 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.505 ' HA ' ' HB2' ' B' ' 4' ' ' ASP . 67.7 Cg_endo -93.19 30.71 13.18 Favored 'Cis proline' 0 C--N 1.348 0.54 0 C-N-CA 124.491 -1.045 . . . . 15.0 113.601 0.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -76.21 121.2 22.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.753 -0.462 . . . . 15.0 109.753 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -70.31 -14.51 62.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.317 -0.401 . . . . 15.0 111.632 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.417 ' HB3' ' CZ ' ' B' ' 54' ' ' TYR . 37.6 mtt85 68.95 101.97 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.375 0 O-C-N 123.657 0.598 . . . . 15.0 111.899 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -76.34 163.89 31.71 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 122.565 2.177 . . . . 15.0 111.952 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -98.24 -1.09 42.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -108.67 135.13 50.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.564 0.221 . . . . 15.0 110.794 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.477 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 54.4 tp -55.75 -52.3 73.26 Favored Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 112.559 0.578 . . . . 15.0 112.559 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.2 Cg_endo -56.18 -38.09 95.5 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 122.005 1.803 . . . . 15.0 112.288 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -66.39 -39.35 88.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 15.0 110.571 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.418 HD22 HD13 ' B' ' 52' ' ' ILE . 46.8 tp -66.57 -34.52 78.08 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.36 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.4 m -61.27 -38.15 85.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.478 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -30.92 67.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 15.0 110.767 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -65.48 -40.39 93.04 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.126 0.488 . . . . 15.0 110.091 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 13.8 mt -85.28 -4.19 59.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.511 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 60.03 52.41 5.2 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.496 -0.775 . . . . 15.0 111.093 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.1 t -150.39 -173.46 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.585 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 34.5 p -102.98 167.26 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 15.0 111.495 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.73 -25.74 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.769 -0.65 . . . . 15.0 110.882 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -89.3 8.56 29.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.261 -0.427 . . . . 15.0 111.091 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -128.1 -31.54 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.977 -0.289 . . . . 15.0 111.697 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 13.6 tt -58.88 117.58 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.285 0.564 . . . . 15.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -92.02 108.89 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.077 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.57 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.3 tp -109.61 153.37 24.3 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.447 ' HG3' ' CD1' ' B' ' 60' ' ' TYR . 5.8 pt-20 -116.62 149.88 38.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.245 -0.434 . . . . 15.0 110.794 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 40.5 m -66.44 136.37 55.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.772 0.32 . . . . 15.0 110.701 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.425 ' HA ' ' CD1' ' B' ' 60' ' ' TYR . 2.8 p -60.59 -43.37 94.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.718 -0.674 . . . . 15.0 112.688 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -102.78 -43.93 5.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.083 0.401 . . . . 15.0 112.083 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.12 -29.77 70.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.472 0.177 . . . . 15.0 111.27 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 tptp 59.07 44.68 15.74 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.425 0.631 . . . . 15.0 111.594 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -129.11 169.18 15.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.991 -0.744 . . . . 15.0 108.991 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -76.17 122.93 25.05 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.987 -0.285 . . . . 15.0 110.488 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.451 HD23 HG22 ' B' ' 42' ' ' VAL . 14.0 tp -61.29 134.32 56.84 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.548 ' HB2' ' OE1' ' B' ' 41' ' ' GLU . 89.2 mt -70.61 150.24 46.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.755 0.312 . . . . 15.0 110.755 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -52.09 -41.47 62.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.646 -0.706 . . . . 15.0 112.172 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.418 HH21 ' HB2' ' A' ' 44' ' ' ASP . 52.2 mtp180 -72.09 -33.04 67.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.458 -0.337 . . . . 15.0 111.048 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.548 ' OE1' ' HB2' ' B' ' 38' ' ' LEU . 2.7 mp0 -67.43 -33.15 74.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.995 0.426 . . . . 15.0 110.768 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 38' ' ' LEU . 33.5 t -60.97 -34.4 59.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.966 -0.561 . . . . 15.0 110.033 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -63.64 -39.67 94.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.724 -0.671 . . . . 15.0 111.238 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.98 -37.15 86.36 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.984 0.421 . . . . 15.0 110.201 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.481 ' HA ' HD13 ' B' ' 50' ' ' LEU . 6.6 t80 -64.3 -34.09 77.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.651 -0.704 . . . . 15.0 110.713 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.69 -12.97 46.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.181 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.01 -51.82 5.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 15.0 110.738 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -101.79 179.12 4.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.979 -0.555 . . . . 15.0 111.013 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -104.93 97.75 7.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.94 0.4 . . . . 15.0 110.144 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' B' ' 45' ' ' PHE . 6.5 mp -106.95 -29.36 9.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.997 -0.547 . . . . 15.0 111.145 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 49.4 t 73.93 142.27 0.07 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.923 0.764 . . . . 15.0 110.66 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.418 HD13 HD22 ' B' ' 15' ' ' LEU . 25.6 mt -80.34 123.95 37.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.902 0.382 . . . . 15.0 110.716 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 m -93.22 124.82 45.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.468 -0.568 . . . . 15.0 109.468 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 71.5 m-85 -105.71 109.66 21.7 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.145 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' B' ' 57' ' ' GLY . 5.0 mmm180 -100.11 119.12 37.83 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.833 -0.802 . . . . 15.0 108.833 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t70 74.27 -34.97 0.29 Allowed 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.749 0.656 . . . . 15.0 110.815 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' B' ' 55' ' ' ARG . . . 147.57 -2.09 0.76 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.515 -0.634 . . . . 15.0 111.515 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -97.16 141.04 22.45 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 110.056 -0.35 . . . . 15.0 110.056 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.521 ' HD3' ' HB2' ' B' ' 2' ' ' PHE . 43.6 Cg_endo -70.57 114.2 3.76 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.478 2.119 . . . . 15.0 112.199 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' TYR . . . . . 0.447 ' CD1' ' HG3' ' B' ' 29' ' ' GLU . 58.0 m-85 -112.81 155.3 24.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 15.0 110.02 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.57 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -107.99 163.21 13.33 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.117 -0.492 . . . . 15.0 111.015 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 20.0 t -119.7 112.32 36.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.07 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 3.4 p -92.36 173.09 7.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.662 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -60.12 -26.25 66.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.485 0.66 . . . . 15.0 109.385 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 1.3 mtpt -66.34 -51.54 56.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.016 -0.993 . . . . 15.0 109.945 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 78.0 m -65.51 -37.02 85.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.74 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.3 -41.04 96.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 15.0 111.841 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 14.7 pttp -80.58 -22.56 40.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 15.0 110.787 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -76.97 -47.7 20.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 15.0 111.714 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.27 -0.871 . . . . 15.0 110.61 -179.032 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 27.9 ptm . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.798 0.332 . . . . 15.0 110.338 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.526 ' CZ ' ' HG2' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -145.24 110.59 5.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.037 -0.528 . . . . 15.0 109.878 179.424 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.426 ' HB3' ' H ' ' A' ' 4' ' ' ASP . 18.2 mt-30 -134.01 -160.7 1.07 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.99 -0.55 . . . . 15.0 110.144 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.46 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 26.6 t70 -49.11 144.48 7.82 Favored Pre-proline 0 N--CA 1.471 0.591 0 O-C-N 123.498 0.499 . . . . 15.0 111.167 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.46 ' HA ' ' OD1' ' A' ' 4' ' ' ASP . 86.3 Cg_endo -84.16 10.27 47.96 Favored 'Cis proline' 0 C--N 1.35 0.631 0 C-N-CA 124.119 -1.2 . . . . 15.0 114.031 0.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.526 ' HG2' ' CZ ' ' A' ' 2' ' ' PHE . 24.3 mp0 -78.19 117.11 19.15 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.725 -0.472 . . . . 15.0 109.725 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 25.4 tp10 -74.85 -33.81 62.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.324 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 2' ' ' PHE . 24.9 mtm180 77.43 86.53 0.08 OUTLIER Pre-proline 0 N--CA 1.466 0.331 0 O-C-N 124.267 0.98 . . . . 15.0 111.393 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.8 169.34 22.27 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.577 2.185 . . . . 15.0 111.38 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -94.17 6.27 49.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.964 0.411 . . . . 15.0 111.114 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -120.45 136.47 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.331 0.586 . . . . 15.0 110.757 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.556 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.7 tp -56.4 -50.54 87.08 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 114.848 -1.069 . . . . 15.0 113.857 -178.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.1 Cg_endo -48.38 -46.59 22.75 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.829 2.353 . . . . 15.0 113.897 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -77.66 -31.22 52.47 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.67 0.248 . . . . 15.0 111.67 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.35 -35.52 79.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 15.0 110.711 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 m -60.36 -40.03 89.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.108 -0.497 . . . . 15.0 110.712 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.62 94.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 15.0 111.12 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.43 -32.86 74.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.029 0.443 . . . . 15.0 110.096 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.505 ' HG ' ' CZ ' ' A' ' 2' ' ' PHE . 1.7 mt -83.17 -2.68 56.11 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.919 -0.582 . . . . 15.0 109.963 178.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 60.4 31.96 20.49 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.212 -0.904 . . . . 15.0 111.521 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 t -138.28 179.39 6.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.872 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 p -99.31 171.42 7.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.016 0.436 . . . . 15.0 111.383 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.459 ' HA ' HG22 ' A' ' 26' ' ' ILE . 32.6 mt -68.22 -14.98 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.575 0.703 . . . . 15.0 110.399 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -86.51 -15.79 38.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.653 -0.703 . . . . 15.0 111.392 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -111.97 -23.59 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.86 0.319 . . . . 15.0 111.86 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.459 HG22 ' HA ' ' A' ' 23' ' ' ILE . 20.6 tt -64.35 121.98 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.483 0.659 . . . . 15.0 111.445 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -115.57 123.97 71.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.832 -0.622 . . . . 15.0 110.072 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.23 152.06 38.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.408 -0.36 . . . . 15.0 110.521 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.75 153.4 23.52 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.105 -0.331 . . . . 15.0 110.105 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.629 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 49.7 t -68.14 145.11 54.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.151 0.501 . . . . 15.0 111.153 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.424 HG23 ' HB2' ' A' ' 55' ' ' ARG . 6.0 p -81.26 -27.5 10.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.823 -0.626 . . . . 15.0 111.3 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -88.63 -62.44 1.49 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.356 0.502 . . . . 15.0 112.356 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.445 ' SG ' ' NZ ' ' A' ' 65' ' ' LYS . 1.7 p -89.61 -9.07 51.09 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.111 0.411 . . . . 15.0 112.111 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 7.1 mptt 61.5 29.24 18.28 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.248 -0.433 . . . . 15.0 111.602 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -85.32 149.1 25.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.599 -0.273 . . . . 15.0 110.43 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -80.22 113.65 18.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.827 -0.435 . . . . 15.0 109.827 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -78.26 131.53 37.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.258 -0.428 . . . . 15.0 111.178 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.6 mt -75.89 154.7 35.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.965 -0.561 . . . . 15.0 109.598 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 39' ' ' ARG . 14.6 ptt180 -54.05 -30.67 48.8 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.279 0.362 . . . . 15.0 111.434 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -56.88 -48.26 78.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.868 -0.605 . . . . 15.0 111.183 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -73.77 -31.16 63.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.022 -0.535 . . . . 15.0 110.422 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.75 -36.6 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.035 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -66.65 -34.29 77.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.819 0.342 . . . . 15.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -25.1 61.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.036 0.446 . . . . 15.0 110.421 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -62.88 -34.87 78.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.661 -0.699 . . . . 15.0 110.129 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.74 -26.97 27.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.728 -0.669 . . . . 15.0 110.611 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -40.6 83.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.698 -0.683 . . . . 15.0 110.732 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -93.94 178.09 5.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 15.0 109.997 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -95.4 93.29 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.129 0.49 . . . . 15.0 109.992 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.9 mt -135.86 159.31 42.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.688 -0.687 . . . . 15.0 110.682 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.0 m -122.75 154.36 38.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.036 -0.529 . . . . 15.0 109.72 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.41 HD11 ' HA ' ' A' ' 12' ' ' LEU . 44.0 mt -80.79 126.3 39.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.11 0.481 . . . . 15.0 110.846 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.73 124.66 43.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.501 -0.772 . . . . 15.0 109.843 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.515 ' CE2' ' HB3' ' A' ' 8' ' ' ARG . 33.8 m-85 -103.79 110.07 22.03 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.876 0.37 . . . . 15.0 111.485 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.436 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 4.2 tmm_? -92.85 116.36 28.96 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.731 -0.84 . . . . 15.0 108.731 178.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 23.8 t70 73.67 -60.2 0.54 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.992 0.807 . . . . 15.0 110.675 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.39 28.81 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.367 -0.693 . . . . 15.0 111.367 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.418 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 29.8 m-80 -128.16 149.59 71.57 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 109.688 -0.486 . . . . 15.0 109.688 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.63 118.12 5.34 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.539 2.159 . . . . 15.0 112.973 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 55' ' ' ARG . 70.0 m-85 -122.43 158.51 29.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.904 -0.589 . . . . 15.0 109.772 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -122.26 -173.12 2.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.549 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.2 t -129.65 119.17 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.07 -0.514 . . . . 15.0 109.637 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 7.1 p -78.55 171.39 15.18 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.376 -0.231 . . . . 15.0 110.376 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -53.71 -37.17 63.02 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.002 0.371 . . . . 15.0 112.002 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.445 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -65.06 -57.11 9.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.894 0.378 . . . . 15.0 111.275 -179.138 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.0 m -70.84 -20.96 62.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.102 -0.499 . . . . 15.0 111.323 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.5 OUTLIER -56.27 -51.36 68.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.034 179.613 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.469 ' H ' ' HG2' ' A' ' 68' ' ' LYS . 1.7 pttt -80.06 -14.58 58.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.576 -0.284 . . . . 15.0 110.824 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -77.1 -52.6 9.01 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.407 -0.361 . . . . 15.0 110.81 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.785 -0.626 . . . . 15.0 111.282 -179.557 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.804 -0.443 . . . . 15.0 109.804 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.504 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -138.03 111.15 7.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.976 0.417 . . . . 15.0 110.091 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.522 ' HA ' ' NH1' ' B' ' 8' ' ' ARG . 0.0 OUTLIER -131.32 -168.35 1.99 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.824 -0.625 . . . . 15.0 109.524 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -55.68 153.56 15.39 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 110.208 -0.293 . . . . 15.0 110.208 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -87.44 20.77 27.22 Favored 'Cis proline' 0 N--CA 1.461 -0.385 0 C-N-CA 123.686 -1.381 . . . . 15.0 113.289 0.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -69.79 143.57 52.91 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.757 -0.46 . . . . 15.0 109.757 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' B' ' 8' ' ' ARG . 36.8 tt0 -78.97 -33.31 45.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.128 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.522 ' NH1' ' HA ' ' B' ' 3' ' ' GLN . 45.0 mtm180 68.92 82.36 0.19 Allowed Pre-proline 0 C--O 1.234 0.286 0 O-C-N 123.71 0.632 . . . . 15.0 110.601 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.44 174.45 12.81 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.827 2.351 . . . . 15.0 112.555 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -100.88 -12.3 19.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.352 -0.385 . . . . 15.0 111.742 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -105.57 137.66 43.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.718 0.294 . . . . 15.0 110.934 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 27.8 tp -56.18 -50.54 86.91 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 115.86 -0.609 . . . . 15.0 112.211 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.7 Cg_endo -53.2 -38.5 81.43 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.149 1.899 . . . . 15.0 112.237 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -71.08 -38.58 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 15.0 110.218 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.448 HD22 HD13 ' B' ' 52' ' ' ILE . 33.4 tp -61.83 -36.21 80.51 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.115 -0.493 . . . . 15.0 109.813 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 54.7 m -62.25 -39.95 94.55 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.588 -0.733 . . . . 15.0 110.025 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -65.26 -41.75 93.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.06 -0.518 . . . . 15.0 110.635 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.75 -36.02 82.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 15.0 110.38 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.41 -2.79 54.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.526 . . . . 15.0 110.833 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 62.36 42.2 9.34 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.951 -0.568 . . . . 15.0 111.725 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -147.98 -174.4 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.825 -0.435 . . . . 15.0 109.825 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.43 173.47 6.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.952 0.406 . . . . 15.0 111.444 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.443 ' HA ' HG22 ' B' ' 26' ' ' ILE . 13.0 mt -67.91 -7.35 6.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.842 -0.617 . . . . 15.0 111.266 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -95.46 -0.17 52.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.143 -0.48 . . . . 15.0 111.077 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -132.58 -33.5 1.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.158 0.429 . . . . 15.0 112.158 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.443 HG22 ' HA ' ' B' ' 23' ' ' ILE . 18.4 tt -58.48 118.78 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.623 0.725 . . . . 15.0 111.624 -179.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 41.8 mm -104.77 111.03 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.531 -0.759 . . . . 15.0 109.933 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.465 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.1 tp -109.49 147.25 33.23 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.64 -0.504 . . . . 15.0 109.64 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -102.92 158.55 16.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.653 0.263 . . . . 15.0 110.582 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 36.9 t -77.48 142.8 38.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.256 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 p -75.83 -25.31 17.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.041 -0.527 . . . . 15.0 111.272 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -98.49 -64.13 1.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.684 0.253 . . . . 15.0 111.684 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' CYS . . . . . 0.451 ' HB2' ' HG2' ' B' ' 35' ' ' GLN . 0.7 OUTLIER -70.24 -22.07 62.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.313 -0.403 . . . . 15.0 111.853 -178.663 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 44.6 mmtm 65.63 24.26 11.65 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.093 0.473 . . . . 15.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.451 ' HG2' ' HB2' ' B' ' 33' ' ' CYS . 0.0 OUTLIER -94.32 149.8 20.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.236 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -80.81 113.25 18.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.654 -0.869 . . . . 15.0 108.654 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -55.77 131.67 47.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.737 -0.665 . . . . 15.0 112.106 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.407 ' O ' HG23 ' B' ' 42' ' ' VAL . 34.8 mt -73.92 170.22 15.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.352 -0.84 . . . . 15.0 109.859 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -52.46 -45.18 65.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.656 -0.247 . . . . 15.0 111.418 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -62.69 -41.04 98.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.563 -0.29 . . . . 15.0 111.235 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -64.99 -40.89 95.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.797 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 38' ' ' LEU . 54.1 t -67.08 -40.36 85.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 121.243 0.544 . . . . 15.0 109.846 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -63.9 -35.72 81.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.517 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.18 -39.97 90.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.041 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.27 -40.63 86.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.832 -0.622 . . . . 15.0 111.129 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.439 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -81.7 -20.73 38.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.916 0.389 . . . . 15.0 111.573 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -77.19 -26.06 52.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.763 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -107.64 173.73 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.501 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -93.53 88.1 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.799 0.809 . . . . 15.0 109.692 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.614 HD21 HD21 ' B' ' 67' ' ' LEU . 1.2 mp -129.17 162.47 27.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.767 -0.652 . . . . 15.0 111.05 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.02 155.28 31.69 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.282 179.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.448 HD13 HD22 ' B' ' 15' ' ' LEU . 15.9 mt -79.88 129.34 37.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.98 0.419 . . . . 15.0 110.87 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.2 m -95.31 113.88 30.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.945 -0.57 . . . . 15.0 110.042 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -94.47 109.98 21.81 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.899 -0.591 . . . . 15.0 111.037 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -93.23 104.93 17.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.418 -0.956 . . . . 15.0 108.418 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 9.3 t0 70.24 -71.96 0.12 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.0 0.813 . . . . 15.0 110.562 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.98 17.18 0.38 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.059 -0.816 . . . . 15.0 111.059 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.457 ' HB3' ' CE2' ' B' ' 60' ' ' TYR . 2.3 t-20 -117.27 121.84 31.81 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.544 -0.328 . . . . 15.0 110.803 -179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -74.25 101.59 1.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.577 2.184 . . . . 15.0 111.308 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' B' ' 58' ' ' ASN . 47.7 m-85 -101.18 165.2 11.42 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.777 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.465 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -121.59 174.93 6.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.993 -0.549 . . . . 15.0 110.717 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 20.0 t -118.58 115.92 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.949 -0.569 . . . . 15.0 109.945 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 1.2 p -79.67 173.44 12.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.37 -0.377 . . . . 15.0 111.469 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.24 -36.85 73.81 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.28 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 0.1 OUTLIER -60.28 -49.92 75.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.883 -0.599 . . . . 15.0 110.963 -179.49 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 6.5 m -71.99 -31.09 65.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.983 0.421 . . . . 15.0 110.729 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.614 HD21 HD21 ' B' ' 50' ' ' LEU . 12.1 mt -65.16 -41.17 94.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 15.0 112.045 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 11.1 ptmt -67.46 -24.17 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.57 0.224 . . . . 15.0 110.931 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -76.82 -26.27 54.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.344 . . . . 15.0 111.024 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.505 -0.76 . . . . 15.0 111.061 -179.619 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptm . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.686 0.279 . . . . 15.0 110.359 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.62 102.75 4.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.137 0.494 . . . . 15.0 109.676 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.01 -151.54 0.46 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.142 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.86 149.66 52.92 Favored Pre-proline 0 C--O 1.233 0.228 0 C-N-CA 122.17 0.188 . . . . 15.0 110.954 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -85.43 4.14 64.43 Favored 'Cis proline' 0 C--N 1.346 0.412 0 C-N-CA 123.871 -1.304 . . . . 15.0 113.121 0.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -66.48 138.69 57.71 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -89.25 -16.98 29.94 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.796 -0.361 . . . . 15.0 110.737 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 65.84 85.42 0.16 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 15.0 110.507 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD3' ' OE1' ' A' ' 18' ' ' GLU . 12.2 Cg_exo -70.9 163.01 40.67 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.848 2.365 . . . . 15.0 111.784 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -94.33 -11.25 30.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.942 0.401 . . . . 15.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -109.34 131.13 55.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 15.0 109.919 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.576 ' HA ' HD11 ' A' ' 52' ' ' ILE . 30.7 tp -52.35 -48.22 90.27 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 113.8 1.037 . . . . 15.0 113.8 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.7 Cg_endo -49.66 -34.46 35.0 Favored 'Trans proline' 0 C--N 1.358 1.048 0 C-N-CA 122.84 2.36 . . . . 15.0 113.999 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -87.83 -30.31 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.104 -0.239 . . . . 15.0 111.347 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.514 HD22 HD13 ' A' ' 52' ' ' ILE . 9.8 tp -61.99 -37.77 86.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 15.0 110.543 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.51 ' SG ' HG12 ' A' ' 23' ' ' ILE . 23.8 m -62.31 -35.29 78.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.674 -0.694 . . . . 15.0 110.851 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -66.3 -40.59 90.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.461 . . . . 15.0 111.218 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' OE1' ' HD3' ' A' ' 9' ' ' PRO . 9.2 mt-10 -65.1 -34.73 79.11 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.001 0.429 . . . . 15.0 110.196 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.24 -0.2 51.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.888 -0.596 . . . . 15.0 110.933 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 59.87 37.84 21.52 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.045 -0.525 . . . . 15.0 111.527 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 t -135.63 -175.91 4.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.113 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 p -118.44 164.74 14.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.71 0.291 . . . . 15.0 111.203 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.51 HG12 ' SG ' ' A' ' 16' ' ' CYS . 8.0 mt -73.2 1.53 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 121.767 0.794 . . . . 15.0 110.119 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -102.43 1.06 34.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.487 -0.779 . . . . 15.0 110.819 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -136.62 -31.89 0.85 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.68 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.462 HG22 ' HA ' ' A' ' 23' ' ' ILE . 20.8 tt -64.49 122.08 14.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.514 0.673 . . . . 15.0 111.096 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.2 mm -111.34 106.68 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.971 -0.558 . . . . 15.0 110.192 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.9 156.13 16.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.119 -0.491 . . . . 15.0 109.951 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -107.61 158.32 17.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.147 -0.479 . . . . 15.0 110.085 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 46.1 t -69.35 143.07 53.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.222 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -73.76 -27.78 23.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.333 -0.394 . . . . 15.0 110.711 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -100.54 -57.54 2.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.173 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 m -69.72 -25.59 63.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.645 -0.252 . . . . 15.0 111.123 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 43.0 mttp 59.35 40.0 21.6 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.343 0.592 . . . . 15.0 110.711 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -119.44 152.94 36.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.542 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -70.49 123.67 22.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.887 0.375 . . . . 15.0 111.575 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.526 HD21 ' HA ' ' A' ' 63' ' ' CYS . 5.4 mp -83.89 133.38 34.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.791 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.529 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . 51.2 mt -72.93 157.6 37.11 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.105 -0.702 . . . . 15.0 109.105 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -57.37 -24.84 57.76 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.88 0.326 . . . . 15.0 111.88 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -60.1 -52.56 64.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.883 0.373 . . . . 15.0 110.621 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.529 ' OE1' ' HB2' ' A' ' 38' ' ' LEU . 1.2 pm0 -75.86 -23.84 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.395 -0.366 . . . . 15.0 110.873 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 38' ' ' LEU . 47.0 t -62.85 -43.63 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.459 -0.571 . . . . 15.0 109.459 178.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -71.14 -36.96 72.26 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.609 -0.515 . . . . 15.0 109.609 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -62.78 -36.95 84.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.315 -0.857 . . . . 15.0 109.831 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -67.75 -45.17 75.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.334 -0.848 . . . . 15.0 110.338 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.08 -13.18 60.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.728 -0.669 . . . . 15.0 111.829 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -72.45 -27.69 62.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.143 0.497 . . . . 15.0 110.282 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -104.52 162.2 13.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.009 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -81.79 62.27 5.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.465 0.65 . . . . 15.0 110.957 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.7 mt -92.06 174.41 7.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.468 -0.787 . . . . 15.0 109.874 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.5 m -132.96 157.91 43.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.851 0.358 . . . . 15.0 110.651 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.576 HD11 ' HA ' ' A' ' 12' ' ' LEU . 72.8 mt -80.71 134.73 26.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.825 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.8 t -99.32 127.15 52.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.883 -0.784 . . . . 15.0 108.883 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -100.3 109.16 21.36 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.184 0.516 . . . . 15.0 111.435 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.44 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 1.5 tmm_? -85.22 105.07 15.65 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.031 -0.729 . . . . 15.0 109.031 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.44 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 9.8 t70 72.47 -57.87 0.61 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.998 0.811 . . . . 15.0 111.432 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.13 34.74 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.536 -0.626 . . . . 15.0 111.536 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -142.64 137.36 15.21 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.687 -0.486 . . . . 15.0 109.687 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -68.02 123.06 10.21 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.764 2.309 . . . . 15.0 113.242 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -126.7 154.0 44.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.641 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.04 -177.08 3.16 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.128 0.489 . . . . 15.0 110.878 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.4 t -115.55 121.01 66.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.485 -0.78 . . . . 15.0 108.988 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.526 ' HA ' HD21 ' A' ' 37' ' ' LEU . 28.4 p -71.6 179.57 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.496 0.665 . . . . 15.0 111.907 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.44 -22.69 65.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.221 -0.9 . . . . 15.0 110.708 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -82.06 -56.68 3.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.513 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.423 ' HA ' ' CD1' ' A' ' 69' ' ' PHE . 58.4 m -66.83 -16.32 64.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.667 -0.697 . . . . 15.0 112.156 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 tp -50.33 -45.96 55.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.235 0.541 . . . . 15.0 112.125 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -81.62 -9.84 59.57 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.981 -0.554 . . . . 15.0 111.982 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 66' ' ' CYS . 20.3 m-85 -75.31 -51.9 12.12 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.167 0.432 . . . . 15.0 112.167 -178.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.157 -0.925 . . . . 15.0 111.418 -178.144 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.875 0.369 . . . . 15.0 110.903 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.95 153.35 29.44 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.955 -0.387 . . . . 15.0 109.955 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.41 -166.71 1.11 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.888 -0.412 . . . . 15.0 109.888 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ASP . . . . . 0.412 ' HA ' ' HA ' ' B' ' 5' ' ' PRO . 0.2 OUTLIER -121.29 135.56 25.08 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.708 -0.224 . . . . 15.0 110.743 -179.268 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' B' ' 4' ' ' ASP . 8.9 Cg_endo -92.3 -61.26 0.03 OUTLIER 'Cis proline' 0 CA--C 1.534 0.512 0 C-N-CA 124.299 -1.126 . . . . 15.0 112.634 -1.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' B' ' 5' ' ' PRO . 84.1 mm-40 72.83 7.69 5.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.921 0.888 . . . . 15.0 112.664 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' B' ' 6' ' ' GLN . 27.9 tt0 69.02 -56.37 0.54 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.157 0.583 . . . . 15.0 112.331 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 71.25 84.05 0.14 Allowed Pre-proline 0 C--O 1.234 0.253 0 C-N-CA 123.422 0.689 . . . . 15.0 110.275 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.36 158.17 54.97 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.661 2.241 . . . . 15.0 112.561 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 -99.57 8.89 44.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.289 -0.414 . . . . 15.0 111.178 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -115.09 133.31 56.15 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.894 -0.409 . . . . 15.0 109.894 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.596 HD23 ' HB2' ' B' ' 46' ' ' ALA . 33.1 tp -54.57 -52.33 70.79 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 113.375 0.88 . . . . 15.0 113.375 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 10.0 Cg_endo -52.7 -39.77 75.53 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.238 1.959 . . . . 15.0 112.912 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -76.0 -33.81 59.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.543 -0.299 . . . . 15.0 110.917 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 tp -65.78 -35.43 80.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.011 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.9 m -59.41 -38.36 80.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.068 0.461 . . . . 15.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -28.82 67.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.05 -0.523 . . . . 15.0 111.7 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -68.71 -29.72 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 15.0 110.987 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.64 12.05 35.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 15.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 53.94 51.47 14.69 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.174 -0.466 . . . . 15.0 111.545 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -148.81 -176.72 5.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.667 0.27 . . . . 15.0 110.774 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.65 172.03 7.63 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.3 mt -56.62 -43.35 78.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 15.0 111.784 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.17 51.82 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.773 0.32 . . . . 15.0 111.569 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -168.86 -39.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.527 . . . . 15.0 110.069 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.3 tt -72.01 129.52 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.06 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 mm -113.73 131.67 64.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.314 -0.403 . . . . 15.0 111.252 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -122.76 149.69 43.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.93 -0.577 . . . . 15.0 109.82 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.33 156.62 16.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.199 -0.297 . . . . 15.0 110.199 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' CYS . . . . . 0.584 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 6.6 t -70.18 145.03 51.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.381 -0.372 . . . . 15.0 110.375 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.51 -31.59 54.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.501 -0.318 . . . . 15.0 111.422 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.424 ' HD2' ' SG ' ' B' ' 66' ' ' CYS . 35.2 m-85 -102.97 -71.92 0.71 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.674 0.25 . . . . 15.0 111.674 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 23.3 m -63.17 -27.48 69.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.09 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.584 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 40.9 mttp 63.85 29.64 14.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.626 -0.715 . . . . 15.0 111.207 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.406 ' H ' ' HB3' ' B' ' 30' ' ' CYS . 23.5 pt20 -80.14 150.49 30.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.169 -0.678 . . . . 15.0 109.169 178.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -77.59 103.79 7.74 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.112 -0.329 . . . . 15.0 110.112 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -61.58 122.91 16.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 15.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 42' ' ' VAL . 51.6 mt -73.24 168.26 19.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.666 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -54.13 -28.92 42.91 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.264 -0.426 . . . . 15.0 111.966 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' B' ' 40' ' ' ARG . 6.6 ttp85 -68.62 -47.22 67.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.763 0.316 . . . . 15.0 110.47 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -65.57 -41.96 92.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 15.0 110.332 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 38' ' ' LEU . 40.0 t -62.97 -38.41 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 115.914 -0.585 . . . . 15.0 110.503 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -39.6 86.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.004 -0.544 . . . . 15.0 110.553 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -36.5 82.03 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.559 -0.534 . . . . 15.0 109.559 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -68.14 -46.0 72.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.467 -0.788 . . . . 15.0 110.433 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.596 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -71.85 -15.53 62.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.43 -178.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -67.52 -19.87 65.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.919 0.39 . . . . 15.0 111.455 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -133.8 175.63 9.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.144 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -92.53 86.09 5.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.31 0.576 . . . . 15.0 110.143 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 mt -112.83 147.68 36.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.706 -0.679 . . . . 15.0 110.38 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.21 141.14 28.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.836 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 64.7 mt -80.59 136.16 23.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.055 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.2 m -90.49 123.78 42.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.228 0.537 . . . . 15.0 110.195 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -99.2 111.98 24.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.141 -0.481 . . . . 15.0 110.673 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.487 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -97.81 109.99 22.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.053 -0.721 . . . . 15.0 109.053 179.237 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.487 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 21.3 t70 75.9 -39.78 0.38 Allowed 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.91 0.757 . . . . 15.0 111.54 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.18 -19.12 0.1 Allowed Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.517 -0.633 . . . . 15.0 111.517 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -85.81 141.39 35.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 110.297 -0.26 . . . . 15.0 110.297 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.81 110.49 3.09 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.428 2.085 . . . . 15.0 111.979 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -108.29 152.51 24.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.066 -0.516 . . . . 15.0 110.157 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.87 165.18 11.64 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.084 0.469 . . . . 15.0 111.276 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 t -102.78 112.09 34.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.52 -0.764 . . . . 15.0 109.135 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 17.9 p -75.9 176.0 8.27 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.164 0.507 . . . . 15.0 111.679 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.25 -34.57 68.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.279 -0.873 . . . . 15.0 110.928 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -68.75 -55.29 11.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.758 -0.656 . . . . 15.0 110.993 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' CYS . . . . . 0.424 ' SG ' ' HD2' ' B' ' 32' ' ' TYR . 36.2 m -70.27 -24.25 63.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.092 -0.504 . . . . 15.0 112.197 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.2 -47.65 82.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 15.0 111.781 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.525 ' HG2' ' H ' ' B' ' 68' ' ' LYS . 2.9 ptpt -80.38 -23.83 40.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.163 -0.471 . . . . 15.0 111.398 -178.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -78.64 -43.96 24.94 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.309 0.485 . . . . 15.0 112.309 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 119.001 -0.523 . . . . 15.0 110.995 -179.28 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.854 -0.424 . . . . 15.0 109.854 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -145.83 132.43 19.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.792 0.329 . . . . 15.0 110.318 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -80.4 164.63 22.94 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.389 0.614 . . . . 15.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.497 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -99.18 170.35 6.98 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.49 -0.777 . . . . 15.0 109.157 179.188 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 4' ' ' ASP . 91.4 Cg_endo -83.76 -17.43 27.15 Favored 'Cis proline' 0 C--N 1.347 0.493 0 C-N-CA 123.945 -1.273 . . . . 15.0 113.642 0.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -157.77 69.87 0.56 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.877 0.37 . . . . 15.0 111.925 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -88.23 -15.03 36.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.384 0.611 . . . . 15.0 109.479 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.424 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -107.83 144.62 29.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.422 -0.808 . . . . 15.0 110.898 -179.141 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -77.41 -179.51 5.51 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.685 2.257 . . . . 15.0 111.704 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -108.55 7.33 26.7 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.056 0.391 . . . . 15.0 112.056 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -119.81 139.45 52.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.609 -0.269 . . . . 15.0 111.195 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.5 ' HA ' HD11 ' A' ' 52' ' ' ILE . 30.8 tp -57.68 -53.16 68.57 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 116.027 -0.533 . . . . 15.0 112.426 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.2 Cg_endo -55.42 -39.31 91.76 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.979 1.786 . . . . 15.0 112.065 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -71.08 -43.62 67.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 15.0 110.353 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.8 tp -58.1 -46.41 85.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.032 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.8 m -59.1 -45.91 89.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.033 0.444 . . . . 15.0 110.267 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.1 m -62.04 -42.33 99.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.736 -0.665 . . . . 15.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.65 -29.83 68.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.937 0.398 . . . . 15.0 110.823 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.85 -0.12 37.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.854 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 65.82 32.34 8.85 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.883 -0.599 . . . . 15.0 110.885 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.52 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 14.1 t -140.65 -170.03 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.386 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.5 p -120.05 178.19 4.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.809 0.338 . . . . 15.0 110.652 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -76.23 3.44 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.425 0.631 . . . . 15.0 111.203 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -109.76 2.18 19.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.266 -0.425 . . . . 15.0 110.209 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.52 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 33.9 t70 -132.92 -19.61 2.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 15.0 111.664 -178.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.0 tt -59.9 131.76 24.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 121.198 0.523 . . . . 15.0 111.282 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.8 mm -103.02 108.44 24.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.927 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.1 mp -127.42 146.52 50.45 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.992 -0.374 . . . . 15.0 109.992 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 5.2 pt-20 -116.91 162.2 18.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.852 0.358 . . . . 15.0 111.213 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 45.1 t -70.02 144.03 52.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.668 . . . . 15.0 111.043 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.439 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 7.5 p -78.51 -24.34 13.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.407 -0.815 . . . . 15.0 110.958 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -100.64 -44.0 5.98 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.001 0.371 . . . . 15.0 112.001 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.5 m -88.8 -19.56 25.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.288 0.477 . . . . 15.0 112.288 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.4 tptp 61.13 31.91 19.65 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.798 0.809 . . . . 15.0 109.929 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.68 135.58 53.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.184 -0.916 . . . . 15.0 109.898 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.483 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 24.4 mp0 -60.43 131.8 51.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.905 0.383 . . . . 15.0 111.088 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -80.4 148.4 30.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.957 -0.565 . . . . 15.0 110.429 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.635 ' HB2' ' OE2' ' A' ' 41' ' ' GLU . 78.2 mt -86.77 162.77 17.66 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.539 -0.541 . . . . 15.0 109.539 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 39' ' ' ARG . 13.7 ttm180 -57.93 -20.51 38.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.906 0.706 . . . . 15.0 112.906 -178.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.411 ' H ' ' HG3' ' A' ' 40' ' ' ARG . 1.9 mtm180 -73.02 -52.17 15.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.931 0.396 . . . . 15.0 110.846 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.635 ' OE2' ' HB2' ' A' ' 38' ' ' LEU . 1.7 pm0 -70.26 -26.37 63.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.154 -0.475 . . . . 15.0 110.787 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 38' ' ' LEU . 82.7 t -64.72 -36.65 78.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 108.727 -0.842 . . . . 15.0 108.727 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -64.76 -41.63 95.74 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.457 -0.792 . . . . 15.0 109.435 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -61.09 -38.0 84.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.382 -0.827 . . . . 15.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -62.41 -35.49 79.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.49 -23.35 24.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.28 -0.418 . . . . 15.0 111.406 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -76.15 -27.19 56.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.263 0.554 . . . . 15.0 110.556 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -107.16 165.33 11.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.187 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -84.48 93.22 8.27 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.489 -0.56 . . . . 15.0 109.489 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.7 mt -140.99 157.57 45.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.972 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.9 m -116.96 160.78 20.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.763 -0.653 . . . . 15.0 109.658 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' A' ' 12' ' ' LEU . 16.9 mt -81.21 135.89 24.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.667 0.27 . . . . 15.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -91.5 113.56 27.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.081 -0.711 . . . . 15.0 109.081 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.424 ' CE2' ' HG3' ' A' ' 8' ' ' ARG . 45.5 m-85 -99.61 110.1 22.56 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.243 -0.435 . . . . 15.0 111.509 -178.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.5 mmm-85 -107.93 118.56 37.06 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 73.49 -17.93 0.41 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.984 0.802 . . . . 15.0 111.844 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 132.41 -7.71 5.32 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.844 -0.693 . . . . 15.0 112.292 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.448 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 41.5 m-80 -94.12 145.32 29.57 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 110.334 -0.247 . . . . 15.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 5.2 Cg_exo -78.31 113.69 3.41 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.643 2.228 . . . . 15.0 112.285 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.439 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 78.3 m-85 -116.96 140.67 49.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.043 0.449 . . . . 15.0 110.304 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -108.77 179.98 4.03 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 4.4 t -121.72 117.75 53.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.053 -0.721 . . . . 15.0 109.053 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.59 173.35 9.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.961 0.41 . . . . 15.0 111.146 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -54.99 -37.03 66.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.61 -0.723 . . . . 15.0 111.773 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -59.35 5.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.862 -0.608 . . . . 15.0 112.033 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.461 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -71.81 -27.64 63.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.433 0.531 . . . . 15.0 112.433 -178.243 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.7 mt -57.36 -44.93 84.77 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.148 0.425 . . . . 15.0 112.148 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -81.58 -22.02 38.02 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.858 -0.337 . . . . 15.0 111.023 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -78.53 -30.34 46.95 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.122 0.415 . . . . 15.0 112.122 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 . . . . . 0 C--O 1.242 0.694 0 CA-C-O 118.568 -0.73 . . . . 15.0 110.912 -179.04 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 ttm . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 109.598 -0.519 . . . . 15.0 109.598 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.506 ' CD1' ' HG2' ' B' ' 8' ' ' ARG . 0.3 OUTLIER -140.68 166.79 23.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.629 0.252 . . . . 15.0 110.899 179.664 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.411 ' HG2' ' H ' ' B' ' 3' ' ' GLN . 10.6 pt20 -79.18 169.12 18.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.92 -0.582 . . . . 15.0 111.561 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ASP . . . . . 0.666 ' CG ' ' HA ' ' B' ' 5' ' ' PRO . 1.6 t70 -111.79 152.76 44.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.803 -0.635 . . . . 15.0 109.351 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.666 ' HA ' ' CG ' ' B' ' 4' ' ' ASP . 19.2 Cg_endo -84.47 -103.08 0.0 OUTLIER 'Cis proline' 0 N--CA 1.455 -0.784 0 C-N-CA 123.608 -1.413 . . . . 15.0 113.461 0.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -97.79 50.96 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.017 -0.427 . . . . 15.0 111.833 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.406 ' HG3' ' HD2' ' B' ' 5' ' ' PRO . 27.7 mt-10 -87.07 47.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.177 -0.675 . . . . 15.0 109.177 178.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.506 ' HG2' ' CD1' ' B' ' 2' ' ' PHE . 32.4 mtt180 -128.29 116.33 20.07 Favored Pre-proline 0 N--CA 1.451 -0.376 0 CA-C-N 115.542 -0.753 . . . . 15.0 110.484 -178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.6 176.95 9.42 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.49 2.127 . . . . 15.0 112.294 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 60.5 mmt-85 -108.12 0.96 21.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.273 -0.421 . . . . 15.0 110.373 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -99.82 119.9 38.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.758 -0.655 . . . . 15.0 109.946 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 22.5 tp -55.76 -50.67 85.76 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 112.855 0.687 . . . . 15.0 112.855 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.3 Cg_endo -54.83 -34.54 85.64 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.222 1.948 . . . . 15.0 112.856 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -83.15 -29.67 28.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.321 . . . . 15.0 110.708 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.443 HD22 HD13 ' B' ' 52' ' ' ILE . 24.8 tp -63.38 -35.49 80.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.271 0.558 . . . . 15.0 110.024 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 35.2 m -63.55 -40.14 96.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.707 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -60.37 -39.61 87.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.316 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.73 -22.99 62.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.137 0.494 . . . . 15.0 111.058 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.0 mt -96.58 5.05 51.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.951 -0.568 . . . . 15.0 110.286 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 59.56 37.13 22.82 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.693 -0.685 . . . . 15.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.428 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 14.6 t -140.61 -171.7 3.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.165 -0.47 . . . . 15.0 110.789 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.9 p -126.49 177.77 6.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.46 -0.337 . . . . 15.0 110.633 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 10.3 mt -71.53 -7.13 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.648 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -96.11 -8.5 33.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 15.0 111.191 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.428 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 13.6 t70 -124.42 -36.97 2.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.018 0.377 . . . . 15.0 112.018 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -47.7 129.05 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 121.192 0.52 . . . . 15.0 111.668 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 31.8 mm -106.55 116.27 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.704 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.471 HD23 ' HB2' ' B' ' 61' ' ' ALA . 2.2 mp -123.33 144.56 49.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 15.0 109.399 178.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -110.7 164.88 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.499 -0.319 . . . . 15.0 110.16 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 52.8 t -67.79 140.16 56.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.327 . . . . 15.0 110.518 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.8 p -71.96 -20.42 20.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.469 -0.332 . . . . 15.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -104.3 -51.19 3.17 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.991 0.367 . . . . 15.0 111.991 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 57.3 m -82.98 -24.61 32.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.688 -0.233 . . . . 15.0 111.533 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 2.4 mptm? 65.34 21.71 11.97 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.711 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -98.12 154.53 17.67 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.627 -0.508 . . . . 15.0 109.627 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -64.39 127.92 33.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.894 0.378 . . . . 15.0 111.161 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.48 142.43 37.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.64 . . . . 15.0 110.963 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.476 ' O ' HG23 ' B' ' 42' ' ' VAL . 45.4 mt -72.95 142.29 47.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.921 -0.77 . . . . 15.0 108.921 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -54.1 -34.94 61.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 15.0 111.497 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -62.28 -41.29 98.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 15.0 110.97 179.288 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -72.95 -27.77 62.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.345 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 38' ' ' LEU . 60.2 t -63.04 -34.55 67.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 109.385 -0.598 . . . . 15.0 109.385 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' TYR . . . . . 0.497 ' O ' ' HB2' ' B' ' 47' ' ' PHE . 25.7 m-85 -68.97 -37.03 78.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.062 179.056 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -66.29 -39.35 89.32 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.333 0.587 . . . . 15.0 109.793 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -61.86 -42.37 98.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.38 -0.827 . . . . 15.0 110.642 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.29 -13.05 53.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 15.0 111.226 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' PHE . . . . . 0.497 ' HB2' ' O ' ' B' ' 43' ' ' TYR . 11.1 t80 -77.52 -44.93 27.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.485 . . . . 15.0 109.985 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.458 HH22 ' HB3' ' B' ' 67' ' ' LEU . 6.1 mtt180 -88.38 -160.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.659 -0.7 . . . . 15.0 109.881 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -117.27 89.38 3.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.219 0.533 . . . . 15.0 110.23 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -132.56 138.3 47.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.593 -0.73 . . . . 15.0 109.537 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 56.9 m -91.19 161.35 15.11 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.199 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.443 HD13 HD22 ' B' ' 15' ' ' LEU . 65.5 mt -79.36 129.04 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.904 0.383 . . . . 15.0 110.777 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.78 113.83 27.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.619 -0.719 . . . . 15.0 110.014 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -94.88 109.91 21.85 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.56 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.25 102.85 14.89 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.805 -0.813 . . . . 15.0 108.805 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 t0 68.27 -83.91 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.918 -1.037 . . . . 15.0 111.403 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.61 20.26 3.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.441 -0.885 . . . . 15.0 112.809 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -133.21 134.14 23.8 Favored Pre-proline 0 C--N 1.323 -0.572 0 O-C-N 122.535 -0.391 . . . . 15.0 110.988 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.86 122.61 9.26 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.697 2.265 . . . . 15.0 112.558 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -122.84 163.39 20.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.138 -0.483 . . . . 15.0 109.885 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.471 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -118.87 -172.35 2.27 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.163 0.506 . . . . 15.0 110.804 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 6.7 t -115.52 120.76 65.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.756 -0.656 . . . . 15.0 109.576 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 28.2 p -78.83 169.64 17.91 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.118 -0.233 . . . . 15.0 110.728 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -48.48 -37.04 16.34 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.608 0.596 . . . . 15.0 112.608 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.4 -59.69 4.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.618 -0.265 . . . . 15.0 111.45 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -28.11 61.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.459 -0.337 . . . . 15.0 111.762 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.458 ' HB3' HH22 ' B' ' 48' ' ' ARG . 8.4 mt -52.21 -47.3 65.72 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.675 0.62 . . . . 15.0 112.675 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.407 ' H ' ' HG2' ' B' ' 68' ' ' LYS . 24.9 pttt -81.27 -24.85 37.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.61 0.243 . . . . 15.0 111.646 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -78.03 -27.97 48.95 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.416 0.525 . . . . 15.0 112.416 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 117.935 -1.031 . . . . 15.0 111.483 -178.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.464 ' SD ' ' HG2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.912 -0.403 . . . . 15.0 109.912 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.487 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -137.77 117.0 12.64 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.457 -0.571 . . . . 15.0 109.457 179.404 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.464 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 5.8 mm100 -119.73 -162.15 0.91 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.946 -0.57 . . . . 15.0 111.518 -178.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.96 158.6 42.75 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.77 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -84.43 17.46 27.87 Favored 'Cis proline' 0 C--N 1.345 0.363 0 C-N-CA 123.64 -1.4 . . . . 15.0 113.014 0.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.415 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 11.1 mm-40 -83.54 121.39 27.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.92 0.39 . . . . 15.0 110.552 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -75.34 -3.77 35.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' A' ' 2' ' ' PHE . 33.0 mtm-85 64.2 88.27 0.12 Allowed Pre-proline 0 N--CA 1.463 0.189 0 CA-C-N 115.808 -0.633 . . . . 15.0 111.262 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.16 157.23 57.98 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 15.0 112.341 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 51' ' ' CYS . 25.4 mmt180 -91.08 -18.82 23.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.303 -0.408 . . . . 15.0 111.13 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -85.16 131.31 34.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.64 0.257 . . . . 15.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 59.4 tp -56.18 -50.59 86.62 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.972 -0.558 . . . . 15.0 111.961 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.2 Cg_endo -54.98 -35.16 89.21 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.125 1.883 . . . . 15.0 112.338 179.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -69.48 -44.81 70.4 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.396 -0.365 . . . . 15.0 110.604 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.61 HD22 HD13 ' A' ' 52' ' ' ILE . 34.1 tp -57.83 -34.39 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.955 -0.387 . . . . 15.0 109.955 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.8 m -64.26 -49.72 70.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.706 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 p -66.04 -40.45 90.98 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.872 0.367 . . . . 15.0 111.342 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.33 -32.62 71.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.273 -0.422 . . . . 15.0 111.047 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.561 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -84.62 -4.31 58.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.862 0.363 . . . . 15.0 110.25 179.341 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 63.46 46.3 4.39 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.466 -0.788 . . . . 15.0 110.823 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.436 HG22 ' HB3' ' A' ' 19' ' ' LEU . 12.9 t -152.03 -170.7 3.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.999 -0.546 . . . . 15.0 110.447 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -123.73 -179.86 4.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.708 0.289 . . . . 15.0 111.081 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.421 ' H ' HG13 ' A' ' 23' ' ' ILE . 3.4 mt -73.08 0.16 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 15.0 111.336 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -105.13 -5.64 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.757 0.313 . . . . 15.0 111.043 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.407 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 31.8 t70 -133.77 -8.77 2.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.963 0.411 . . . . 15.0 111.515 -178.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 tt -63.19 121.36 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.61 0.719 . . . . 15.0 111.545 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.5 mm -84.64 94.66 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.687 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.547 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.2 tp -122.99 128.19 49.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.728 -0.669 . . . . 15.0 109.641 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -115.37 171.68 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.94 -0.573 . . . . 15.0 110.599 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 39.3 t -67.43 142.26 56.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.321 0.581 . . . . 15.0 111.055 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.43 -20.54 12.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.617 -0.72 . . . . 15.0 110.524 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -101.57 -70.7 0.74 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.674 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.6 m -73.17 -14.38 61.35 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.342 0.497 . . . . 15.0 112.342 -177.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 39.1 mmtm 64.84 22.36 12.5 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.579 0.549 . . . . 15.0 111.784 178.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 6.5 pt20 -88.04 142.95 27.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.626 -0.509 . . . . 15.0 109.626 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -72.54 126.06 28.95 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.184 -0.302 . . . . 15.0 110.184 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.37 145.69 54.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.013 -0.54 . . . . 15.0 111.467 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.7 tp -82.66 162.0 21.99 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.383 -0.599 . . . . 15.0 109.383 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 12.2 ttp85 -47.19 -41.68 18.49 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 122.805 0.442 . . . . 15.0 112.168 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -68.21 -46.51 70.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.618 -0.264 . . . . 15.0 111.659 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.535 ' OE1' ' HB3' ' A' ' 38' ' ' LEU . 9.1 mp0 -58.7 -36.98 75.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.101 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 38' ' ' LEU . 16.3 t -65.74 -38.05 81.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.018 0.437 . . . . 15.0 110.005 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.453 ' HE2' ' NH1' ' A' ' 39' ' ' ARG . 21.6 m-30 -71.4 -33.97 69.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 15.0 109.828 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.89 -30.33 71.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.471 0.653 . . . . 15.0 109.81 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.97 -38.04 72.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.946 -1.025 . . . . 15.0 110.5 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.91 -24.09 59.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.401 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.412 ' HZ ' ' HB3' ' B' ' 46' ' ' ALA . 0.2 OUTLIER -74.26 -20.31 60.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.786 -179.603 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.0 mtt85 -111.93 168.39 9.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.59 -0.277 . . . . 15.0 110.359 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.2 -4.07 58.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.952 0.406 . . . . 15.0 110.797 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.5 109.21 0.47 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.59 -0.732 . . . . 15.0 111.109 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 29.5 p -68.98 -171.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 15.0 111.767 -178.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.61 HD13 HD22 ' A' ' 15' ' ' LEU . 29.7 mt -87.9 140.03 16.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.633 -0.712 . . . . 15.0 109.684 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -103.07 113.55 40.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.412 0.625 . . . . 15.0 109.853 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -94.97 111.51 23.3 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.699 -0.682 . . . . 15.0 111.377 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.39 110.82 23.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.988 -0.745 . . . . 15.0 108.988 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t0 70.09 -73.16 0.1 Allowed 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.972 0.795 . . . . 15.0 110.496 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.39 22.31 0.22 Allowed Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.212 -0.755 . . . . 15.0 111.212 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -118.75 131.81 24.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.473 0.177 . . . . 15.0 111.127 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -76.32 103.24 1.71 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.595 2.196 . . . . 15.0 111.496 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -115.72 168.21 10.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.46 0.648 . . . . 15.0 111.028 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.547 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -126.39 -168.44 1.86 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.481 -0.781 . . . . 15.0 109.908 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 47.2 t -135.69 120.26 26.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.763 -0.458 . . . . 15.0 109.763 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.61 174.14 10.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.931 0.396 . . . . 15.0 110.862 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -50.87 -33.74 25.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.978 1.103 . . . . 15.0 113.978 -177.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -62.98 1.42 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.748 -0.381 . . . . 15.0 111.697 -177.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.476 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -76.28 -25.78 55.26 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.057 0.391 . . . . 15.0 112.057 -179.132 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 16.7 tp -51.56 -49.96 61.02 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.762 0.652 . . . . 15.0 112.762 -178.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.466 ' H ' ' HG2' ' A' ' 68' ' ' LYS . 26.2 pttt -79.58 -21.57 44.88 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.886 0.328 . . . . 15.0 111.886 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -77.85 -36.55 49.8 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 111.752 0.278 . . . . 15.0 111.752 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.601 -0.714 . . . . 15.0 111.495 -178.815 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptt? . . . . . 0 N--CA 1.486 1.351 0 N-CA-C 110.369 -0.234 . . . . 15.0 110.369 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.8 101.11 4.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.251 0.548 . . . . 15.0 110.555 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.451 ' HB2' ' H ' ' B' ' 4' ' ' ASP . 0.0 OUTLIER -138.22 -158.65 0.88 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.516 -0.765 . . . . 15.0 109.586 -179.749 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ASP . . . . . 0.473 ' OD1' ' HA ' ' B' ' 5' ' ' PRO . 21.7 t70 -50.78 142.87 15.79 Favored Pre-proline 0 N--CA 1.47 0.539 0 C-N-CA 122.986 0.514 . . . . 15.0 111.265 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.473 ' HA ' ' OD1' ' B' ' 4' ' ' ASP . 2.1 Cg_endo -82.49 4.06 50.38 Favored 'Cis proline' 0 C--N 1.352 0.712 0 C-N-CA 124.541 -1.024 . . . . 15.0 113.541 1.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -72.71 105.3 4.24 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.55 -0.537 . . . . 15.0 109.55 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -70.91 -15.53 62.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.999 -0.546 . . . . 15.0 111.316 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 66.22 83.95 0.18 Allowed Pre-proline 0 N--CA 1.467 0.394 0 CA-C-O 120.94 0.4 . . . . 15.0 111.515 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.79 165.06 33.81 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.618 2.212 . . . . 15.0 112.154 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.88 7.61 41.17 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.941 0.348 . . . . 15.0 111.941 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -119.43 131.16 55.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.747 0.308 . . . . 15.0 110.691 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.585 ' HA ' HD11 ' B' ' 52' ' ' ILE . 28.6 tp -54.39 -51.27 79.5 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 113.29 0.848 . . . . 15.0 113.29 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.6 Cg_endo -54.2 -33.98 77.18 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.249 1.966 . . . . 15.0 112.554 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -81.89 -27.49 33.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.712 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.537 HD22 HD13 ' B' ' 52' ' ' ILE . 42.7 tp -68.4 -33.95 75.16 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 179.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 0.602 ' SG ' HG12 ' B' ' 23' ' ' ILE . 39.0 m -61.15 -35.28 76.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.538 -0.755 . . . . 15.0 110.095 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -33.87 76.58 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.722 -0.672 . . . . 15.0 110.659 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.82 -32.77 74.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.329 0.585 . . . . 15.0 109.653 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 mt -88.54 1.67 54.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.446 -0.797 . . . . 15.0 110.088 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 55.76 39.83 30.77 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.66 -0.7 . . . . 15.0 111.033 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -143.45 -173.51 3.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.065 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -105.2 171.94 7.05 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.491 0.186 . . . . 15.0 110.686 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.602 HG12 ' SG ' ' B' ' 16' ' ' CYS . 10.4 mt -68.2 -12.93 16.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.644 0.735 . . . . 15.0 110.145 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -83.28 -5.11 59.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.36 -0.836 . . . . 15.0 111.479 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -128.99 -10.64 4.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.898 0.38 . . . . 15.0 111.834 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 20.5 tt -69.73 134.84 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.268 0.556 . . . . 15.0 110.987 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -117.16 113.45 42.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.576 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -127.88 145.57 50.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.405 -0.361 . . . . 15.0 110.032 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -107.69 160.57 15.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.704 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.65 141.9 57.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.948 0.404 . . . . 15.0 110.779 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.401 ' HA ' ' CD2' ' B' ' 60' ' ' TYR . 5.2 p -65.04 -33.43 63.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.441 -0.8 . . . . 15.0 112.108 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -110.2 -36.88 5.71 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.714 0.635 . . . . 15.0 112.714 -178.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 m -83.88 -20.77 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.741 0.305 . . . . 15.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 mptt 59.79 24.36 13.33 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.97 -0.559 . . . . 15.0 111.102 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -100.19 139.01 36.48 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.402 -0.592 . . . . 15.0 109.402 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -66.2 125.74 26.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.991 0.424 . . . . 15.0 110.539 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -75.41 129.48 37.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.846 -0.616 . . . . 15.0 110.439 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 54.8 mt -64.21 141.13 58.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.742 -0.466 . . . . 15.0 109.742 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' B' ' 40' ' ' ARG . 0.2 OUTLIER -45.01 -38.96 5.2 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.762 0.652 . . . . 15.0 112.762 -178.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.402 ' N ' ' HG3' ' B' ' 39' ' ' ARG . 13.9 ttp180 -61.8 -48.42 80.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.671 0.272 . . . . 15.0 111.493 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.48 -31.71 70.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 15.0 110.379 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.11 -37.69 74.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.815 -0.63 . . . . 15.0 110.959 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -70.08 -33.92 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 15.0 110.646 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -27.42 63.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.166 0.508 . . . . 15.0 109.856 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -68.02 -37.87 81.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.287 -0.869 . . . . 15.0 110.041 178.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.502 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -83.96 -23.97 30.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.864 -0.607 . . . . 15.0 111.242 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.09 -22.6 60.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.361 0.601 . . . . 15.0 109.763 179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -102.97 155.14 18.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.507 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -80.8 78.87 7.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.321 0.582 . . . . 15.0 110.909 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mp -114.51 179.59 3.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.02 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 1.1 p -131.18 154.41 48.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.502 -0.317 . . . . 15.0 110.477 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.585 HD11 ' HA ' ' B' ' 12' ' ' LEU . 51.1 mt -82.18 127.67 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.442 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' B' ' 60' ' ' TYR . 0.0 OUTLIER -91.2 112.88 25.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 116.011 -0.541 . . . . 15.0 109.997 179.192 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -94.34 110.9 22.63 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.224 0.535 . . . . 15.0 110.396 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -105.31 107.09 17.9 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.541 -0.754 . . . . 15.0 109.406 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.1 t0 70.08 22.96 5.47 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.655 -0.702 . . . . 15.0 111.013 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.04 -25.74 20.44 Favored Glycine 0 CA--C 1.51 -0.226 0 C-N-CA 120.886 -0.674 . . . . 15.0 113.032 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -75.0 140.76 74.08 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.712 0.291 . . . . 15.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.85 119.78 6.27 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.521 2.147 . . . . 15.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 71.7 m-85 -125.32 155.12 40.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.888 -0.596 . . . . 15.0 109.727 179.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.93 179.21 4.05 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.187 -0.46 . . . . 15.0 109.986 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 14.1 t -114.7 115.61 50.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.635 -0.505 . . . . 15.0 109.635 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 27.4 p -72.3 170.21 14.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.135 -0.32 . . . . 15.0 110.135 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.535 ' O ' ' HE2' ' B' ' 68' ' ' LYS . 31.3 t70 -57.84 -32.9 68.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.8 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -70.62 -57.09 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.759 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' CYS . . . . . 0.549 ' HA ' ' HB2' ' B' ' 69' ' ' PHE . 69.3 m -65.66 -26.22 67.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.517 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 0.3 OUTLIER -52.24 -55.0 24.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 15.0 111.316 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.535 ' HE2' ' O ' ' B' ' 64' ' ' ASP . 4.0 pttt -80.98 -12.88 59.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.005 -0.543 . . . . 15.0 111.428 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' PHE . . . . . 0.549 ' HB2' ' HA ' ' B' ' 66' ' ' CYS . 1.8 m-85 -76.76 -49.02 16.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.755 0.312 . . . . 15.0 111.531 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.428 -0.796 . . . . 15.0 111.408 -178.473 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 110.31 -0.256 . . . . 15.0 110.31 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.513 ' HB2' ' HD3' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -137.65 100.42 4.2 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.381 0.61 . . . . 15.0 110.917 179.523 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.14 -163.6 1.55 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.162 -0.927 . . . . 15.0 108.669 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.433 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 16.7 t70 -47.57 140.44 7.8 Favored Pre-proline 0 N--CA 1.469 0.503 0 O-C-N 123.33 0.394 . . . . 15.0 110.972 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.433 ' HA ' ' OD1' ' A' ' 4' ' ' ASP . 1.8 Cg_endo -83.45 3.22 56.18 Favored 'Cis proline' 0 C--N 1.348 0.545 0 C-N-CA 124.46 -1.058 . . . . 15.0 113.635 1.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -71.0 121.81 18.87 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.378 -0.601 . . . . 15.0 109.378 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -80.14 -15.78 56.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.265 -0.425 . . . . 15.0 111.12 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 69.0 86.0 0.13 Allowed Pre-proline 0 N--CA 1.468 0.438 0 O-C-N 123.482 0.489 . . . . 15.0 111.111 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -80.78 154.03 20.06 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.563 2.175 . . . . 15.0 111.537 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -88.17 -1.27 57.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.696 -0.229 . . . . 15.0 111.344 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -110.74 130.34 55.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.9 0.381 . . . . 15.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.584 HD23 ' HB2' ' A' ' 46' ' ' ALA . 19.6 tp -55.18 -49.57 91.54 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.539 -0.755 . . . . 15.0 112.825 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 9.7 Cg_endo -53.2 -33.74 66.11 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.301 2.001 . . . . 15.0 112.733 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -85.13 -30.5 23.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.574 -0.285 . . . . 15.0 111.01 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.651 HD22 HD13 ' A' ' 52' ' ' ILE . 39.5 tp -61.05 -37.82 83.96 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.163 0.506 . . . . 15.0 110.368 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.694 ' SG ' HG12 ' A' ' 23' ' ' ILE . 47.1 m -60.3 -33.95 73.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.49 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.5 m -67.65 -40.41 84.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.136 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.0 -40.4 87.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.607 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.41 -3.5 50.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 15.0 110.942 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 59.57 50.13 7.71 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.93 -0.577 . . . . 15.0 111.334 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -155.15 -174.01 4.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.403 -0.362 . . . . 15.0 110.303 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.8 p -107.74 169.07 8.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 15.0 111.198 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.694 HG12 ' SG ' ' A' ' 16' ' ' CYS . 1.9 mt -75.38 1.71 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.308 0.575 . . . . 15.0 110.643 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -108.0 9.07 28.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.989 -0.55 . . . . 15.0 110.157 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -132.98 -37.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 15.0 111.624 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.6 tt -65.06 128.4 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.509 0.671 . . . . 15.0 112.253 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.1 119.78 62.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.021 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -106.32 160.95 14.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.73 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -118.98 153.88 33.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.014 -0.539 . . . . 15.0 109.666 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 37.9 t -67.43 145.16 55.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.127 0.489 . . . . 15.0 111.271 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.499 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 7.5 p -71.96 -29.84 34.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.62 -0.718 . . . . 15.0 111.664 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -103.37 -46.12 4.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.171 0.434 . . . . 15.0 112.171 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.09 -25.49 36.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.715 0.265 . . . . 15.0 111.715 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.1 mptt 63.5 22.21 13.1 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.192 0.52 . . . . 15.0 111.265 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -95.82 147.43 23.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.0 -0.546 . . . . 15.0 109.788 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -73.31 126.97 31.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.998 0.427 . . . . 15.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.56 138.98 43.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.788 -0.642 . . . . 15.0 109.781 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.7 mt -74.7 157.86 34.55 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.071 -0.513 . . . . 15.0 109.983 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -52.76 -35.01 55.65 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.983 0.42 . . . . 15.0 110.974 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -63.99 -39.99 95.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.348 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.12 -33.22 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 15.0 110.93 -178.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.1 t -57.48 -40.58 75.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.746 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -70.97 -35.04 71.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -67.22 -38.67 85.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.194 0.521 . . . . 15.0 109.783 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -65.84 -35.09 79.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.324 -0.853 . . . . 15.0 110.93 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -82.93 -33.63 26.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.826 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -69.23 -35.87 76.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.902 0.382 . . . . 15.0 110.669 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -90.14 155.01 19.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.389 -0.597 . . . . 15.0 109.389 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -82.08 79.81 8.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.511 0.672 . . . . 15.0 110.568 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mp -112.79 171.44 7.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.506 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 68.7 m -129.76 149.56 51.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.908 0.385 . . . . 15.0 110.739 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.651 HD13 HD22 ' A' ' 15' ' ' LEU . 65.4 mt -84.2 136.51 22.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.754 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.468 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -111.89 119.64 60.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.968 -0.56 . . . . 15.0 109.567 179.441 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -94.78 110.26 22.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.964 0.411 . . . . 15.0 111.163 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -84.17 114.05 21.51 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.613 -0.884 . . . . 15.0 108.613 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.0 t70 71.45 -71.01 0.14 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.024 0.827 . . . . 15.0 110.734 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.07 44.03 0.18 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.305 -0.718 . . . . 15.0 111.305 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.411 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 1.3 m-20 -142.33 147.64 44.34 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 110.099 -0.334 . . . . 15.0 110.099 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.513 ' HD3' ' HB2' ' A' ' 2' ' ' PHE . 57.8 Cg_endo -73.85 109.76 2.94 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.333 2.022 . . . . 15.0 112.326 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.499 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 59.8 m-85 -116.58 139.75 50.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.914 -0.585 . . . . 15.0 109.52 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.91 -176.07 2.94 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.352 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 t -115.15 118.15 57.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.034 -0.53 . . . . 15.0 109.575 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 24.6 p -74.02 174.85 8.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.399 -0.364 . . . . 15.0 110.068 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.2 -15.66 63.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.046 0.451 . . . . 15.0 110.206 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.44 ' HB2' ' SG ' ' A' ' 63' ' ' CYS . 3.7 mtpm? -78.63 -57.17 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 15.0 109.752 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 33.8 m -72.95 -15.18 61.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.651 -0.704 . . . . 15.0 111.617 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 5.5 tp -49.63 -43.03 46.52 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.687 -0.688 . . . . 15.0 112.265 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -16.31 53.34 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.725 0.269 . . . . 15.0 111.725 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -77.77 -49.73 13.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.768 0.318 . . . . 15.0 111.618 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.338 -0.839 . . . . 15.0 110.903 -178.922 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.471 0.177 . . . . 15.0 111.447 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.96 133.23 53.75 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.002 -0.279 . . . . 15.0 110.605 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.52 166.5 10.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.848 0.356 . . . . 15.0 110.872 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.83 150.93 41.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.02 -0.536 . . . . 15.0 110.782 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -88.37 -71.57 0.0 OUTLIER 'Cis proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.813 -1.328 . . . . 15.0 113.017 0.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 69.67 -8.5 0.76 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.682 0.793 . . . . 15.0 112.72 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' B' ' 8' ' ' ARG . 38.3 tt0 72.21 -53.0 0.7 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.492 0.717 . . . . 15.0 111.313 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.467 ' HB3' ' OH ' ' B' ' 54' ' ' TYR . 15.0 mtm180 68.99 86.26 0.12 Allowed Pre-proline 0 C--O 1.234 0.27 0 O-C-N 123.831 0.707 . . . . 15.0 111.155 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -65.21 152.18 83.0 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.595 2.197 . . . . 15.0 111.638 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -92.03 18.97 7.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.856 0.36 . . . . 15.0 111.306 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -122.87 128.62 50.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.967 -0.561 . . . . 15.0 109.899 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.49 HD21 HG13 ' B' ' 42' ' ' VAL . 7.1 tp -52.49 -51.88 68.73 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 113.864 1.061 . . . . 15.0 113.864 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 7.5 Cg_endo -52.16 -45.57 38.31 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.198 1.932 . . . . 15.0 112.718 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -72.26 -28.65 63.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.753 0.311 . . . . 15.0 111.252 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 tp -69.01 -34.21 74.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 15.0 110.276 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 62.3 m -59.49 -35.28 73.81 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.912 -0.585 . . . . 15.0 110.704 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -30.17 69.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.217 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -71.24 -34.6 70.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.424 0.631 . . . . 15.0 109.792 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 mt -86.7 -1.76 57.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.232 -0.894 . . . . 15.0 110.697 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 60.48 38.64 19.03 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.646 -0.706 . . . . 15.0 111.532 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.405 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 14.8 t -139.62 -169.97 2.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.101 -0.499 . . . . 15.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -115.86 175.58 5.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.491 -0.322 . . . . 15.0 110.885 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 20.9 mt -72.67 -7.46 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.37 0.605 . . . . 15.0 111.263 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -99.31 -4.89 30.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.157 -0.34 . . . . 15.0 110.798 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.405 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 34.3 t70 -129.28 -10.67 4.66 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 111.892 0.331 . . . . 15.0 111.892 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 11.2 tt -65.16 122.2 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.327 0.584 . . . . 15.0 110.915 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.0 mm -106.21 105.82 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.949 -0.569 . . . . 15.0 110.473 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tp -123.32 138.18 54.67 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -97.71 166.2 11.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.99 0.424 . . . . 15.0 111.2 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 41.5 t -73.93 144.07 45.45 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.599 -0.728 . . . . 15.0 109.925 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.794 HG13 ' HD1' ' B' ' 32' ' ' TYR . 2.5 p -71.43 -24.52 23.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.758 -0.655 . . . . 15.0 111.13 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.794 ' HD1' HG13 ' B' ' 31' ' ' VAL . 26.0 m-85 -108.2 -55.16 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.726 0.269 . . . . 15.0 111.726 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 12.1 m -70.28 -23.2 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 15.0 111.79 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 60.23 30.26 19.71 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.995 0.426 . . . . 15.0 111.637 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -111.57 151.51 28.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.009 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -70.12 127.36 32.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.648 -0.251 . . . . 15.0 110.706 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 mp -77.04 136.42 38.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.297 -0.41 . . . . 15.0 110.036 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.469 ' O ' ' HG2' ' B' ' 41' ' ' GLU . 10.2 mp -81.03 169.68 17.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.948 0.404 . . . . 15.0 110.98 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -56.67 -26.68 57.07 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.912 -0.585 . . . . 15.0 112.379 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -67.91 -52.17 39.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.791 0.329 . . . . 15.0 111.424 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' B' ' 38' ' ' LEU . 1.3 pm0 -71.47 -34.34 70.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.411 -0.359 . . . . 15.0 110.977 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.49 HG13 HD21 ' B' ' 12' ' ' LEU . 60.4 t -61.88 -40.55 87.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.48 -45.71 89.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.582 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.429 ' CG ' HH21 ' B' ' 48' ' ' ARG . 4.5 t0 -59.69 -40.37 87.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.762 -0.654 . . . . 15.0 110.919 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.403 ' HB3' HD22 ' B' ' 12' ' ' LEU . 5.2 t80 -65.59 -33.46 75.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.84 -0.618 . . . . 15.0 111.478 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.76 -33.78 22.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.776 0.322 . . . . 15.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -69.36 -47.21 65.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.572 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.429 HH21 ' CG ' ' B' ' 44' ' ' ASP . 27.5 mtm180 -90.14 136.3 33.13 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.622 -0.51 . . . . 15.0 109.622 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -71.44 89.78 0.95 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.053 0.454 . . . . 15.0 111.067 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.602 HD21 HD21 ' B' ' 67' ' ' LEU . 1.1 mp -111.12 -177.88 3.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.751 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 27.9 m -121.7 138.08 54.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 72.9 mt -80.99 132.09 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.306 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.517 HG21 HG11 ' B' ' 31' ' ' VAL . 1.4 m -91.62 136.04 25.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.049 -0.523 . . . . 15.0 109.669 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' B' ' 59' ' ' PRO . 30.9 m-85 -111.05 110.19 20.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.831 0.348 . . . . 15.0 111.457 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.54 103.16 12.66 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.557 -0.905 . . . . 15.0 108.557 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 68.96 -64.27 0.33 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.223 0.952 . . . . 15.0 110.649 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -155.48 -1.72 0.12 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.965 -0.561 . . . . 15.0 112.298 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -102.42 128.24 28.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.723 0.297 . . . . 15.0 111.381 -179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' B' ' 54' ' ' TYR . 60.2 Cg_endo -77.7 116.27 4.0 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.696 2.264 . . . . 15.0 112.177 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -122.91 164.79 17.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.878 0.37 . . . . 15.0 110.149 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.11 169.2 8.7 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.017 0.437 . . . . 15.0 110.791 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 t -104.42 118.76 52.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' CYS . . . . . 0.68 ' SG ' ' HE3' ' B' ' 65' ' ' LYS . 30.8 p -72.74 172.41 10.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.08 0.467 . . . . 15.0 110.785 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.97 -15.95 62.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.81 -0.632 . . . . 15.0 111.218 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.68 ' HE3' ' SG ' ' B' ' 63' ' ' CYS . 0.0 OUTLIER -81.27 -57.86 3.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.411 . . . . 15.0 110.36 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 66' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 6.1 m -69.02 -25.09 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.843 -0.617 . . . . 15.0 111.498 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.602 HD21 HD21 ' B' ' 50' ' ' LEU . 2.0 mt -57.42 -38.46 74.38 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.398 -0.365 . . . . 15.0 111.95 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -79.74 -27.18 40.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.841 0.353 . . . . 15.0 110.984 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -76.51 -47.77 21.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.031 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.776 -0.63 . . . . 15.0 110.616 -179.677 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.596 0.236 . . . . 15.0 110.423 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -123.1 143.16 50.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.362 -0.381 . . . . 15.0 110.167 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -83.51 -177.81 6.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.216 0.532 . . . . 15.0 111.891 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -91.2 144.76 30.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.149 -0.932 . . . . 15.0 110.705 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -92.47 -73.53 0.0 OUTLIER 'Cis proline' 0 N--CA 1.456 -0.73 0 C-N-CA 124.009 -1.246 . . . . 15.0 112.41 -0.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.44 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 13.1 mm-40 -101.78 70.25 1.24 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.265 0.555 . . . . 15.0 111.047 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -85.81 11.24 11.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.805 0.812 . . . . 15.0 109.063 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.63 147.0 57.86 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 114.793 -1.094 . . . . 15.0 110.074 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -80.13 169.65 17.36 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.884 2.39 . . . . 15.0 112.804 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.525 ' HA ' ' OH ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -100.08 9.02 43.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.954 -0.567 . . . . 15.0 111.107 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -111.95 131.53 55.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.308 -0.405 . . . . 15.0 110.034 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.502 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 57.3 tp -53.57 -52.31 68.14 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.828 0.677 . . . . 15.0 112.828 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.2 Cg_endo -55.14 -45.94 36.77 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.128 1.886 . . . . 15.0 112.407 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -65.91 -38.74 89.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.075 -0.511 . . . . 15.0 110.256 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.4 tp -60.59 -42.52 96.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.231 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.9 m -63.83 -35.83 81.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.009 -0.542 . . . . 15.0 109.933 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.5 m -66.05 -38.87 89.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.414 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -75.22 -28.78 60.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.452 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.3 tp -81.22 -6.65 59.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.006 -0.543 . . . . 15.0 109.549 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 62.82 45.28 5.78 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.164 -0.926 . . . . 15.0 111.483 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -152.61 179.23 8.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.388 -0.369 . . . . 15.0 110.466 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.92 165.95 11.68 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.373 -0.376 . . . . 15.0 110.453 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.0 mt -67.37 -10.33 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.383 0.611 . . . . 15.0 110.801 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -90.7 -3.2 57.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.931 -0.577 . . . . 15.0 110.722 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -124.66 -24.47 4.16 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.645 0.609 . . . . 15.0 112.645 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.1 tt -51.8 118.68 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.547 0.689 . . . . 15.0 111.721 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.7 mm -83.35 98.44 5.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.325 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.3 tp -124.52 120.49 32.14 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.173 -0.677 . . . . 15.0 109.173 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -101.16 173.04 6.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.545 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 47.5 t -70.72 142.54 51.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.495 0.664 . . . . 15.0 111.548 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 p -71.57 -25.81 25.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.796 -1.093 . . . . 15.0 110.754 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -107.37 -55.86 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.081 0.4 . . . . 15.0 112.081 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.3 m -68.97 -23.72 64.16 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.874 0.324 . . . . 15.0 111.874 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.0 tptp 62.8 24.94 14.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.113 0.482 . . . . 15.0 110.876 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.04 142.41 36.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.621 -0.511 . . . . 15.0 109.621 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -65.87 132.72 49.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.936 0.398 . . . . 15.0 111.177 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.8 143.79 26.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.48 -0.782 . . . . 15.0 109.924 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.526 ' HB2' ' OE2' ' A' ' 41' ' ' GLU . 54.6 mt -78.68 151.68 32.07 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.008 -0.738 . . . . 15.0 109.008 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.425 ' HD3' ' OH ' ' A' ' 43' ' ' TYR . 2.3 ptp180 -52.85 -27.57 18.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.772 0.656 . . . . 15.0 112.772 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.463 ' H ' ' HG3' ' A' ' 40' ' ' ARG . 4.5 mtm180 -63.02 -52.06 64.38 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.64 0.257 . . . . 15.0 111.199 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.526 ' OE2' ' HB2' ' A' ' 38' ' ' LEU . 1.5 pm0 -71.05 -22.93 62.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.52 -0.309 . . . . 15.0 110.929 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 38' ' ' LEU . 79.5 t -64.62 -34.21 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.083 0.468 . . . . 15.0 109.853 178.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.425 ' OH ' ' HD3' ' A' ' 39' ' ' ARG . 17.3 m-85 -61.43 -28.36 69.21 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.627 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 23.8 m-20 -64.45 -32.19 73.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.78 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.459 ' HB3' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -68.14 -33.66 74.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.98 -0.555 . . . . 15.0 110.695 179.545 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.45 -37.88 17.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.123 -0.489 . . . . 15.0 111.132 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -63.93 -48.8 75.14 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.963 0.411 . . . . 15.0 110.692 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -94.9 162.96 13.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.257 -0.646 . . . . 15.0 109.257 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -88.16 105.15 17.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.01 0.433 . . . . 15.0 110.002 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.6 mt -133.5 174.66 10.18 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.016 -0.538 . . . . 15.0 110.385 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.6 m -121.69 149.47 43.18 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.058 -0.519 . . . . 15.0 109.967 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.3 mt -80.16 126.49 39.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.109 -0.496 . . . . 15.0 109.761 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.63 113.32 26.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.232 0.539 . . . . 15.0 110.936 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.525 ' OH ' ' HA ' ' A' ' 10' ' ' ARG . 37.1 m-85 -95.39 108.35 20.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.949 -0.569 . . . . 15.0 109.558 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -99.15 118.85 36.81 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.321 -0.622 . . . . 15.0 109.321 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 18.5 t70 74.98 -45.84 0.58 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.002 0.814 . . . . 15.0 110.902 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.68 -26.35 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.527 -0.629 . . . . 15.0 111.527 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -81.47 144.7 53.68 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 110.518 -0.179 . . . . 15.0 110.518 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 7.5 Cg_endo -82.39 119.53 3.07 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.387 2.058 . . . . 15.0 111.733 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -121.35 168.98 11.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.193 0.521 . . . . 15.0 110.946 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.47 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -118.77 -171.26 2.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.547 -0.752 . . . . 15.0 110.308 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.53 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 5.5 t -127.66 124.66 63.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.423 -0.584 . . . . 15.0 109.423 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.5 p -78.11 170.15 17.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.168 -0.308 . . . . 15.0 110.168 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -53.93 -33.77 57.7 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.268 0.355 . . . . 15.0 111.916 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.53 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 17.0 mtpt -57.05 -60.07 4.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 15.0 111.355 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.53 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -75.23 -29.4 60.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.813 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.41 -46.75 76.62 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.747 0.647 . . . . 15.0 112.747 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' A' ' 65' ' ' LYS . 15.5 pttt -72.68 -17.72 61.62 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.984 -0.286 . . . . 15.0 111.407 -178.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -80.07 -38.03 32.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.319 -0.401 . . . . 15.0 110.276 178.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.79 -0.624 . . . . 15.0 110.913 -179.542 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mmm . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.257 -0.275 . . . . 15.0 110.257 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.37 174.28 10.76 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.832 -0.433 . . . . 15.0 109.832 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -90.06 155.37 19.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.423 0.63 . . . . 15.0 111.678 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ASP . . . . . 0.614 ' CG ' ' HA ' ' B' ' 5' ' ' PRO . 8.2 t70 -80.65 151.62 71.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 114.959 -1.018 . . . . 15.0 109.954 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.614 ' HA ' ' CG ' ' B' ' 4' ' ' ASP . 11.0 Cg_endo -90.63 -88.0 0.0 OUTLIER 'Cis proline' 0 N--CA 1.456 -0.7 0 C-N-CA 124.052 -1.228 . . . . 15.0 112.836 -0.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -109.05 36.72 2.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.823 0.344 . . . . 15.0 110.291 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -75.54 67.06 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.84 -0.618 . . . . 15.0 110.031 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.493 ' HB3' ' CZ ' ' B' ' 54' ' ' TYR . 15.1 mtm180 -144.06 114.46 5.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.854 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.32 159.85 51.51 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.617 2.211 . . . . 15.0 111.75 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -96.87 7.38 46.74 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.276 0.473 . . . . 15.0 112.276 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -118.6 136.02 54.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.815 0.34 . . . . 15.0 110.902 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.526 ' HA ' HD11 ' B' ' 52' ' ' ILE . 40.2 tp -56.67 -55.0 47.78 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 113.103 0.779 . . . . 15.0 113.103 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 12.2 Cg_endo -55.75 -34.5 91.11 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.017 1.811 . . . . 15.0 112.576 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -75.28 -40.88 58.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.694 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.82 -34.19 74.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 15.0 110.898 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 69.2 m -57.18 -37.7 72.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.343 -0.389 . . . . 15.0 111.213 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -64.35 -41.62 96.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.013 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 0.1 OUTLIER -69.24 -34.72 75.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.807 -0.633 . . . . 15.0 110.57 -179.357 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 21.5 mt -84.49 -2.21 56.92 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.952 -0.567 . . . . 15.0 111.57 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 61.71 39.68 13.95 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.02 0.438 . . . . 15.0 111.271 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.473 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 14.8 t -146.52 -168.4 3.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.367 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 45.3 p -126.37 177.06 6.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 15.0 111.21 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.0 mt -65.61 -19.36 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.848 -0.615 . . . . 15.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -86.7 -6.58 58.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 15.0 111.638 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.473 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 31.8 t70 -128.34 -30.87 2.34 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.787 0.662 . . . . 15.0 112.787 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 tt -46.26 125.5 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.467 0.651 . . . . 15.0 112.222 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mm -96.48 109.94 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.64 -0.709 . . . . 15.0 110.05 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.877 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.2 tp -125.72 134.67 51.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.155 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -102.82 159.35 15.56 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.51 -0.552 . . . . 15.0 109.51 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 53.3 t -67.82 143.67 55.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.027 0.441 . . . . 15.0 109.983 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.66 -23.55 22.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.024 -0.535 . . . . 15.0 111.292 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -110.02 -53.04 2.72 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.093 -0.243 . . . . 15.0 111.439 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -72.62 -25.16 61.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.827 0.346 . . . . 15.0 111.117 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 2.8 mptm? 56.85 32.45 21.43 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.873 -0.603 . . . . 15.0 111.358 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -110.43 165.72 11.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.403 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -65.05 118.57 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.048 -0.523 . . . . 15.0 110.534 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.2 137.95 53.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.278 -0.419 . . . . 15.0 109.92 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 42' ' ' VAL . 0.3 OUTLIER -66.92 136.38 55.27 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.211 -0.663 . . . . 15.0 109.211 179.205 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -54.92 -30.6 58.84 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.161 0.288 . . . . 15.0 111.435 -178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -68.97 -41.23 78.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.689 0.28 . . . . 15.0 110.285 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.42 -27.27 65.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.728 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 38' ' ' LEU . 57.6 t -61.21 -34.23 59.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.296 -0.631 . . . . 15.0 109.296 178.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -71.49 -36.41 71.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.548 -0.751 . . . . 15.0 110.058 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -66.92 -38.01 85.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.557 -0.534 . . . . 15.0 109.557 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -62.56 -33.98 76.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.884 -0.598 . . . . 15.0 110.538 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.463 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -85.96 -17.63 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.689 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -76.5 -49.62 16.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.737 -0.665 . . . . 15.0 109.867 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -89.49 151.4 22.01 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.834 -0.802 . . . . 15.0 108.834 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -83.62 89.52 7.13 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.313 -0.555 . . . . 15.0 111.318 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.86 173.18 6.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.352 -0.611 . . . . 15.0 109.352 178.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 82.0 m -118.87 147.31 44.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.718 0.294 . . . . 15.0 110.504 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' B' ' 12' ' ' LEU . 48.3 mt -80.22 126.16 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.306 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.59 125.96 43.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.659 -0.7 . . . . 15.0 109.972 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 74.8 m-85 -107.87 109.35 20.85 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.175 -0.466 . . . . 15.0 111.485 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -91.9 115.0 27.69 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.295 -1.002 . . . . 15.0 108.295 178.454 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 1.6 m-20 71.35 -73.58 0.1 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.918 0.761 . . . . 15.0 110.696 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.2 27.35 0.14 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.578 -0.82 . . . . 15.0 112.703 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -127.49 138.06 32.01 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 122.651 -0.323 . . . . 15.0 110.557 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.534 ' HB2' HD11 ' B' ' 28' ' ' LEU . 32.4 Cg_endo -66.09 121.68 9.05 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.722 2.282 . . . . 15.0 112.467 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -126.76 144.04 51.07 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.026 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.877 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -110.3 -175.61 2.77 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.071 -0.513 . . . . 15.0 110.194 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' B' ' 66' ' ' CYS . 3.6 t -118.26 114.06 43.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 24.7 p -68.95 165.92 19.0 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.819 -0.437 . . . . 15.0 109.819 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 26.8 t0 -53.87 -26.74 26.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.758 0.651 . . . . 15.0 112.758 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -64.45 -59.6 4.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.063 0.458 . . . . 15.0 110.489 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' CYS . . . . . 0.488 ' HB2' ' CG1' ' B' ' 62' ' ' VAL . 0.0 OUTLIER -75.15 -30.77 60.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 13.9 tp -53.03 -52.05 59.71 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.862 0.69 . . . . 15.0 112.862 -178.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -72.35 -29.02 63.41 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.178 0.436 . . . . 15.0 112.178 -178.284 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -78.71 -29.45 45.44 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.362 0.504 . . . . 15.0 112.362 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.232 -0.889 . . . . 15.0 112.017 -178.579 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttp . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.891 -0.411 . . . . 15.0 109.891 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.424 ' HB2' ' HD2' ' A' ' 8' ' ' ARG . 5.9 m-85 -84.13 167.03 17.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.579 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -133.45 179.21 6.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.644 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.04 149.36 92.2 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.076 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -95.88 27.91 17.74 Favored 'Cis proline' 0 N--CA 1.459 -0.558 0 C-N-CA 124.05 -1.229 . . . . 15.0 112.243 0.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.436 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 94.7 mt-30 -77.77 93.47 4.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.759 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.501 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 2.5 mm-40 -80.58 -0.57 38.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.984 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.501 ' NH1' ' HA ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER 68.33 148.94 0.12 Allowed Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 115.751 -0.659 . . . . 15.0 112.393 178.685 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.65 -147.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.584 2.189 . . . . 15.0 110.879 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -140.05 5.72 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.645 -0.422 . . . . 15.0 111.595 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -131.54 151.18 51.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.66 0.267 . . . . 15.0 110.841 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.637 ' HA ' HD11 ' A' ' 52' ' ' ILE . 40.1 tp -59.35 -54.42 56.31 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.955 -0.566 . . . . 15.0 112.401 -179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.8 Cg_endo -55.05 -34.19 86.26 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.045 1.83 . . . . 15.0 111.928 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 13.9 mt-30 -71.25 -35.09 71.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.948 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.8 tp -73.23 -34.68 66.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.86 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' SG ' HG12 ' A' ' 23' ' ' ILE . 73.1 m -57.13 -40.94 78.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.988 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -28.72 65.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.422 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 7.8 mm-40 -70.04 -33.71 72.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.253 0.549 . . . . 15.0 109.724 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 tp -91.09 -3.46 57.11 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.573 -0.739 . . . . 15.0 110.382 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 60.91 46.98 8.03 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.589 -0.732 . . . . 15.0 111.213 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -150.19 -175.65 5.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.143 -0.481 . . . . 15.0 110.509 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.3 p -107.76 174.98 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.073 0.463 . . . . 15.0 111.628 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.447 ' HA ' HG22 ' A' ' 26' ' ' ILE . 16.3 mt -70.92 -19.06 21.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 115.755 -0.657 . . . . 15.0 111.152 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -86.96 -8.82 56.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.729 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -114.78 -32.87 5.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.274 -0.421 . . . . 15.0 111.988 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.447 HG22 ' HA ' ' A' ' 23' ' ' ILE . 19.8 tt -60.59 124.41 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-O 121.4 0.619 . . . . 15.0 111.843 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.1 mm -112.44 112.31 39.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.928 -0.578 . . . . 15.0 110.135 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 mp -117.65 160.8 20.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.164 -0.471 . . . . 15.0 110.658 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -120.11 166.25 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.876 -0.416 . . . . 15.0 109.876 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.2 t -70.73 144.87 50.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.247 0.546 . . . . 15.0 110.949 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.78 -31.64 49.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.288 -0.869 . . . . 15.0 111.978 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -116.32 -32.66 5.22 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.951 0.723 . . . . 15.0 112.951 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.6 m -82.16 -22.27 36.15 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.815 -0.354 . . . . 15.0 110.476 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 61.25 20.21 10.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.844 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -93.34 143.73 25.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.791 -0.64 . . . . 15.0 110.069 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -70.42 122.87 20.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.432 -0.349 . . . . 15.0 110.432 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mp -79.88 120.89 24.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.415 -0.357 . . . . 15.0 110.157 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.3 mt -69.78 157.89 36.49 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.177 -0.675 . . . . 15.0 109.177 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -54.21 -28.49 41.32 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.016 0.436 . . . . 15.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -61.2 -44.15 97.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 15.0 110.182 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.65 -31.35 57.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.48 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 38' ' ' LEU . 47.6 t -64.7 -36.1 76.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.526 -0.546 . . . . 15.0 109.526 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -65.92 -37.48 86.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.775 -0.648 . . . . 15.0 109.917 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -33.63 76.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 15.0 110.023 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.438 ' CE2' HD23 ' A' ' 50' ' ' LEU . 14.3 t80 -70.83 -37.02 73.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.488 -0.778 . . . . 15.0 110.364 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -81.32 -20.85 39.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.01 0.433 . . . . 15.0 111.276 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -66.38 -25.9 67.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 15.0 110.506 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -124.27 172.8 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.903 -0.589 . . . . 15.0 110.299 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -99.29 90.43 4.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.673 -0.491 . . . . 15.0 109.673 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.438 HD23 ' CE2' ' A' ' 45' ' ' PHE . 17.0 tp -120.91 151.67 39.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.967 -0.56 . . . . 15.0 110.12 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.57 139.54 30.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.421 -0.354 . . . . 15.0 111.016 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.637 HD11 ' HA ' ' A' ' 12' ' ' LEU . 21.6 mt -80.62 133.18 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.777 -0.453 . . . . 15.0 109.777 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 m -93.69 113.51 28.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.478 0.656 . . . . 15.0 111.008 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' A' ' 59' ' ' PRO . 76.6 m-85 -100.44 110.05 22.22 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.109 -0.496 . . . . 15.0 109.67 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.39 125.26 46.64 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.136 -0.32 . . . . 15.0 110.136 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 71.55 -62.04 0.47 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.287 0.992 . . . . 15.0 110.73 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.401 ' H ' ' H ' ' A' ' 58' ' ' ASN . . . 177.75 16.73 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.591 -0.604 . . . . 15.0 111.591 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.627 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 4.6 t-20 -117.36 132.51 23.5 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 110.15 -0.315 . . . . 15.0 110.15 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.627 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 35.6 Cg_endo -67.21 116.54 4.24 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.675 2.25 . . . . 15.0 112.15 178.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 58' ' ' ASN . 38.8 m-85 -121.45 147.79 45.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.944 0.402 . . . . 15.0 110.561 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.15 170.3 8.26 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.164 -0.471 . . . . 15.0 109.901 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.5 t -98.65 113.6 33.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.328 -0.619 . . . . 15.0 109.328 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 24.8 p -69.03 167.97 14.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.268 0.556 . . . . 15.0 111.412 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -26.58 65.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.256 -0.884 . . . . 15.0 110.08 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -74.98 -58.53 3.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.65 -0.705 . . . . 15.0 110.623 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 99.0 m -59.52 -33.28 71.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.025 -0.534 . . . . 15.0 111.182 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.09 -42.97 91.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.548 179.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -80.97 -26.82 36.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.894 -0.594 . . . . 15.0 111.441 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -75.59 -52.48 10.49 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.051 0.389 . . . . 15.0 112.051 -178.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.626 -0.702 . . . . 15.0 111.031 -178.461 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptm . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.7 0.286 . . . . 15.0 110.305 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.545 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -155.63 118.92 4.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.394 -0.366 . . . . 15.0 110.127 -179.86 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.02 -165.92 2.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.251 -0.432 . . . . 15.0 110.374 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ASP . . . . . 0.475 ' OD1' ' HA ' ' B' ' 5' ' ' PRO . 23.5 t70 -42.55 139.47 1.95 Allowed Pre-proline 0 N--CA 1.472 0.655 0 O-C-N 124.012 0.82 . . . . 15.0 112.058 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.475 ' HA ' ' OD1' ' B' ' 4' ' ' ASP . 5.7 Cg_exo -78.59 0.78 31.16 Favored 'Cis proline' 0 C--N 1.35 0.62 0 C-N-CA 124.215 -1.16 . . . . 15.0 113.849 0.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.489 ' HG2' ' CZ ' ' B' ' 2' ' ' PHE . 27.7 mp0 -73.94 118.32 16.76 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.652 -0.499 . . . . 15.0 109.652 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -82.61 -18.7 40.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.179 -0.464 . . . . 15.0 111.312 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.545 ' HD3' ' O ' ' B' ' 2' ' ' PHE . 4.2 mtm180 69.79 93.3 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.422 0 CA-C-N 116.164 -0.471 . . . . 15.0 111.171 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -76.76 -179.0 4.94 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.578 2.185 . . . . 15.0 112.127 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.401 ' HD2' ' N ' ' B' ' 10' ' ' ARG . 3.0 mpt_? -106.16 -4.74 19.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.157 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' B' ' 11' ' ' LYS . 50.8 mmtt -114.9 141.44 47.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.013 0.435 . . . . 15.0 110.43 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.567 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 13.4 tp -58.17 -48.68 96.6 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 113.53 0.937 . . . . 15.0 113.53 -178.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 1.8 Cg_endo -45.85 -51.03 8.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.898 2.399 . . . . 15.0 113.762 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -74.51 -29.68 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.679 0.276 . . . . 15.0 111.256 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 tp -62.24 -34.47 76.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.184 0.516 . . . . 15.0 109.818 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 0.411 ' SG ' HG12 ' B' ' 23' ' ' ILE . 51.6 m -65.53 -38.19 88.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.633 -0.712 . . . . 15.0 110.26 179.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -37.75 86.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 15.0 110.678 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.69 -35.7 80.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.344 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -89.24 -1.12 57.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.728 -0.669 . . . . 15.0 110.561 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 56.23 41.42 29.32 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.84 -0.618 . . . . 15.0 110.826 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -136.71 178.66 6.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.877 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 29.7 p -99.23 168.33 10.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.059 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.411 HG12 ' SG ' ' B' ' 16' ' ' CYS . 3.4 mt -75.21 0.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.366 0.603 . . . . 15.0 110.567 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -101.55 -7.16 23.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 15.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -114.22 -29.81 6.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 15.0 111.643 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 15.7 tt -63.87 112.87 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.555 0.693 . . . . 15.0 111.11 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 51.0 mm -110.19 118.88 58.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.638 -0.71 . . . . 15.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' B' ' 37' ' ' LEU . 1.4 mp -114.14 155.76 25.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.921 -0.582 . . . . 15.0 109.828 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.423 ' HG3' ' CE2' ' B' ' 60' ' ' TYR . 1.6 pt-20 -103.19 161.39 13.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.766 0.317 . . . . 15.0 110.692 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' CYS . . . . . 0.51 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 53.9 t -74.37 143.96 44.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.309 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.498 HG13 ' CD2' ' B' ' 32' ' ' TYR . 3.2 p -77.46 -33.69 19.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.826 -0.624 . . . . 15.0 111.361 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.514 ' HB2' ' SG ' ' B' ' 66' ' ' CYS . 92.4 m-85 -96.74 -52.47 3.89 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.06 -0.256 . . . . 15.0 111.412 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 m -76.46 -25.46 54.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.655 -0.248 . . . . 15.0 111.401 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 28.8 mttt 61.43 28.61 17.96 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.468 0.651 . . . . 15.0 110.677 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -98.16 163.19 12.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.28 -0.873 . . . . 15.0 109.902 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -81.12 116.19 20.92 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.113 -0.328 . . . . 15.0 110.113 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' B' ' 61' ' ' ALA . 7.9 mp -81.08 126.07 30.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.871 0.367 . . . . 15.0 110.23 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 68.8 mt -78.27 171.98 14.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.151 -0.477 . . . . 15.0 109.778 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -59.96 -14.61 16.74 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.663 0.268 . . . . 15.0 111.474 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -60.76 -52.01 66.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.043 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.54 -31.46 65.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.59 . . . . 15.0 110.656 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.1 -38.17 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 15.0 110.96 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -71.37 -36.94 71.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.628 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -69.4 -36.3 76.62 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.01 -34.67 76.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.822 -1.081 . . . . 15.0 110.692 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.12 -33.65 22.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 15.0 111.359 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -68.52 -50.07 54.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.99 0.424 . . . . 15.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -92.83 162.46 14.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.749 -0.463 . . . . 15.0 109.749 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -81.0 80.93 7.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.47 0.652 . . . . 15.0 111.438 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.56 144.98 30.28 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.61 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.95 148.66 25.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.906 -0.588 . . . . 15.0 110.25 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 70.8 mt -80.69 131.94 32.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.933 0.397 . . . . 15.0 110.165 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -103.2 125.17 57.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.05 -0.523 . . . . 15.0 109.727 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -94.8 108.91 20.93 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.451 -0.5 . . . . 15.0 110.616 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -91.85 109.54 20.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.765 -0.652 . . . . 15.0 109.421 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 66.37 15.09 9.99 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.437 -0.801 . . . . 15.0 110.968 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.56 -7.04 49.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.717 -0.754 . . . . 15.0 112.648 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -99.83 141.28 22.5 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 110.031 -0.359 . . . . 15.0 110.031 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.07 118.46 5.45 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.723 2.282 . . . . 15.0 113.132 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' B' ' 29' ' ' GLU . 7.4 m-85 -124.21 166.59 15.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.83 -0.623 . . . . 15.0 109.693 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.489 ' HB3' HD22 ' B' ' 37' ' ' LEU . . . -123.68 179.64 4.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.119 0.485 . . . . 15.0 111.558 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.513 HG13 ' HB2' ' B' ' 66' ' ' CYS . 22.0 t -120.22 121.26 65.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.537 -0.756 . . . . 15.0 110.104 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 6.8 p -83.64 176.32 9.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.66 0.267 . . . . 15.0 110.492 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.29 -27.86 67.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.051 0.453 . . . . 15.0 110.834 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -66.92 -57.74 6.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.989 -0.551 . . . . 15.0 111.053 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' CYS . . . . . 0.514 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 7.2 m -70.72 -24.18 62.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.884 -178.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -49.03 68.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.218 0.532 . . . . 15.0 111.34 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.01 -22.6 39.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.797 -0.638 . . . . 15.0 111.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.44 -54.2 6.72 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.825 0.676 . . . . 15.0 112.825 -178.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 C--O 1.255 1.392 0 CA-C-O 118.867 -0.587 . . . . 15.0 111.279 -178.596 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.518 0.199 . . . . 15.0 111.307 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -89.23 152.55 21.51 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.301 -0.259 . . . . 15.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.43 -172.52 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.072 0.463 . . . . 15.0 111.149 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.45 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 30.2 t70 -135.04 144.61 50.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.604 -0.725 . . . . 15.0 109.534 -179.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.45 ' HA ' ' OD1' ' A' ' 4' ' ' ASP . 10.3 Cg_endo -90.6 -76.9 0.0 OUTLIER 'Cis proline' 0 N--CA 1.46 -0.491 0 C-N-CA 124.283 -1.132 . . . . 15.0 113.422 0.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 70.95 -1.41 2.68 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.54 0.736 . . . . 15.0 112.143 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 41.9 tt0 70.96 -42.34 0.53 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.546 0.738 . . . . 15.0 112.163 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.507 ' HB2' ' O ' ' A' ' 7' ' ' GLU . 3.7 mtm180 76.64 117.0 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.271 0 C-N-CA 123.624 0.77 . . . . 15.0 110.649 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -72.25 138.94 31.31 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.36 2.04 . . . . 15.0 112.421 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -90.15 6.8 41.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.205 -0.452 . . . . 15.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -125.3 134.7 52.16 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.45 -0.341 . . . . 15.0 110.185 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 23.8 tp -51.63 -51.48 69.4 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 114.093 1.146 . . . . 15.0 114.093 -177.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.8 Cg_endo -49.85 -40.61 48.4 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.466 2.11 . . . . 15.0 113.436 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -76.88 -24.92 52.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.734 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.454 HD22 HD13 ' A' ' 52' ' ' ILE . 41.6 tp -68.63 -34.45 75.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.8 0.333 . . . . 15.0 110.602 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 m -59.26 -35.61 74.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -66.33 -34.04 77.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.576 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -73.92 -27.34 60.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 15.0 111.15 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.4 mt -95.99 -0.53 50.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.877 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 59.47 56.95 3.49 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.542 -0.754 . . . . 15.0 111.731 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -161.15 179.74 8.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.491 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -103.81 170.58 7.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.888 0.375 . . . . 15.0 111.309 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' HA ' HG22 ' A' ' 26' ' ' ILE . 29.6 mt -65.06 -22.48 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.32 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -84.64 0.36 50.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.157 -179.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -127.24 -29.42 2.74 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.006 0.372 . . . . 15.0 112.006 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 23' ' ' ILE . 15.2 tt -59.21 121.85 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.513 0.673 . . . . 15.0 111.7 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 mm -110.58 120.49 61.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.707 -0.679 . . . . 15.0 109.593 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -121.51 151.07 40.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.38 -0.373 . . . . 15.0 110.151 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -100.1 155.84 17.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.393 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.6 t -68.28 143.78 55.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.043 -0.526 . . . . 15.0 110.399 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 p -62.63 -33.83 61.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.769 -0.65 . . . . 15.0 111.541 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -105.13 -54.11 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.948 0.351 . . . . 15.0 111.948 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.8 m -70.82 -25.35 62.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.108 0.411 . . . . 15.0 112.108 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 mttp 60.67 30.89 20.03 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.602 0.715 . . . . 15.0 110.08 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -102.85 142.33 34.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.076 -0.966 . . . . 15.0 110.099 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -68.26 123.04 19.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 mp -77.4 148.44 35.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.209 -0.451 . . . . 15.0 110.606 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.552 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . 66.0 mt -84.62 167.61 16.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.534 -0.543 . . . . 15.0 109.534 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.2 ptt-85 -66.11 -20.32 66.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.651 0.263 . . . . 15.0 110.969 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -64.24 -53.01 55.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.805 0.336 . . . . 15.0 110.698 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.552 ' OE1' ' HB2' ' A' ' 38' ' ' LEU . 1.1 pm0 -72.0 -33.0 67.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.259 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.459 HG13 HD21 ' A' ' 12' ' ' LEU . 24.4 t -60.85 -42.53 92.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.749 -0.463 . . . . 15.0 109.749 178.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -65.12 -42.06 94.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.954 -0.566 . . . . 15.0 110.05 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -66.12 -33.07 74.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.686 -0.688 . . . . 15.0 110.425 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 50' ' ' LEU . 13.6 t80 -69.18 -40.18 78.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.471 -0.786 . . . . 15.0 110.437 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.62 -13.25 52.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.915 -0.584 . . . . 15.0 111.315 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -70.34 -45.5 66.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.085 -0.507 . . . . 15.0 110.034 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.5 mtm-85 -104.92 -176.08 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.228 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -96.04 88.87 5.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.151 0.5 . . . . 15.0 111.126 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 45' ' ' PHE . 87.5 mt -115.66 149.92 37.58 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.882 -0.599 . . . . 15.0 109.596 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.4 p -101.15 147.84 25.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.817 0.342 . . . . 15.0 111.777 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.477 HD11 ' HA ' ' A' ' 12' ' ' LEU . 76.1 mt -81.3 134.64 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.019 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.2 t -91.34 113.85 27.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.501 -0.555 . . . . 15.0 109.501 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 26.9 m-85 -94.19 113.08 24.95 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.058 0.456 . . . . 15.0 111.406 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.593 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -102.31 107.01 17.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.662 -0.699 . . . . 15.0 109.144 178.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.8 25.22 8.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.667 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.13 -7.96 75.91 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.812 -0.709 . . . . 15.0 112.365 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -91.94 134.85 28.11 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 110.442 -0.207 . . . . 15.0 110.442 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.3 120.36 6.5 Favored 'Trans proline' 0 CA--C 1.528 0.195 0 C-N-CA 122.722 2.281 . . . . 15.0 112.989 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.409 ' CD2' ' HB2' ' A' ' 55' ' ' ARG . 56.1 m-85 -126.17 151.03 47.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.045 -0.525 . . . . 15.0 110.058 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.73 172.57 6.75 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.307 -0.406 . . . . 15.0 110.301 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.18 117.06 54.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.552 -0.536 . . . . 15.0 109.552 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 26.6 p -72.89 168.03 19.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.968 0.414 . . . . 15.0 110.601 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.77 -24.7 64.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.016 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.2 -53.95 6.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.635 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 89.6 m -65.14 -24.9 67.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 15.0 112.076 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -60.12 -36.37 77.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.245 0.545 . . . . 15.0 110.377 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -82.51 -19.34 38.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.379 -0.828 . . . . 15.0 110.442 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -79.3 -48.02 14.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.008 -0.542 . . . . 15.0 112.096 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.859 -0.591 . . . . 15.0 111.575 -178.843 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ptm . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.812 0.339 . . . . 15.0 110.267 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.4 ' CZ ' ' HG2' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -141.65 106.75 4.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.459 -0.337 . . . . 15.0 110.5 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.32 -173.66 3.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.835 -0.621 . . . . 15.0 109.829 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ASP . . . . . 0.493 ' OD1' ' HA ' ' B' ' 5' ' ' PRO . 26.0 t70 -42.94 140.26 1.94 Allowed Pre-proline 0 N--CA 1.47 0.569 0 O-C-N 124.026 0.829 . . . . 15.0 111.511 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.493 ' HA ' ' OD1' ' B' ' 4' ' ' ASP . 56.4 Cg_endo -69.63 -15.23 12.27 Favored 'Cis proline' 0 C--N 1.349 0.601 0 C-N-CA 124.089 -1.213 . . . . 15.0 114.623 1.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.4 ' HG2' ' CZ ' ' B' ' 2' ' ' PHE . 26.5 mp0 -66.46 132.36 48.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.89 0.376 . . . . 15.0 110.662 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -113.0 -6.75 13.73 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.806 -0.358 . . . . 15.0 111.452 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 64.45 89.1 0.11 Allowed Pre-proline 0 C--O 1.233 0.216 0 CA-C-O 121.075 0.464 . . . . 15.0 110.522 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -73.08 168.73 23.98 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.556 2.171 . . . . 15.0 112.386 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -91.41 0.93 57.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.177 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -104.86 122.05 44.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.527 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 15.1 tp -52.6 -52.31 65.14 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 116.006 -0.543 . . . . 15.0 111.934 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 19.2 Cg_endo -59.64 -33.8 96.59 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.091 1.861 . . . . 15.0 112.549 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -74.51 -27.84 60.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.722 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.405 HD23 HD11 ' B' ' 26' ' ' ILE . 44.5 tp -64.97 -34.68 79.01 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.825 -0.806 . . . . 15.0 108.825 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 7.5 m -65.06 -30.09 71.03 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.579 -0.737 . . . . 15.0 109.849 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -43.58 83.22 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.856 -0.611 . . . . 15.0 110.495 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -68.73 -35.89 77.71 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.075 0.464 . . . . 15.0 109.93 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 38.3 mt -74.93 -10.89 59.92 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.518 -0.764 . . . . 15.0 110.369 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 60.47 40.35 17.24 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.662 -0.699 . . . . 15.0 110.951 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -138.68 -172.37 3.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.46 -0.791 . . . . 15.0 109.57 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 38.2 p -108.04 172.4 6.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 15.0 111.426 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.39 1.98 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.348 0.594 . . . . 15.0 110.754 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -104.59 -1.87 25.9 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.742 -0.466 . . . . 15.0 109.742 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -121.37 -20.21 6.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.981 -0.554 . . . . 15.0 111.429 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.405 HD11 HD23 ' B' ' 15' ' ' LEU . 11.7 tt -67.61 125.55 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.008 0.432 . . . . 15.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 33.6 mm -129.21 126.03 63.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.613 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -117.72 160.58 21.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.713 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -110.48 158.97 17.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.925 0.393 . . . . 15.0 111.199 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 43.1 t -68.23 140.97 56.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.51 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -72.08 -22.01 20.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.972 -0.558 . . . . 15.0 111.246 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -106.96 -43.69 4.59 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 15.2 m -85.65 -21.3 28.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.986 0.365 . . . . 15.0 111.986 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.7 mptt 63.56 15.41 8.84 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.291 -0.413 . . . . 15.0 110.728 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -93.27 144.33 25.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.243 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -72.09 132.36 44.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.972 0.415 . . . . 15.0 111.343 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mp -87.98 141.8 28.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.867 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 40.6 mt -80.02 162.29 24.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.342 -0.39 . . . . 15.0 110.369 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -52.45 -36.78 55.4 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.838 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -62.07 -44.86 95.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.892 -0.595 . . . . 15.0 110.659 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.06 -33.67 70.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.183 -0.462 . . . . 15.0 110.666 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.9 t -62.18 -40.02 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.059 0.457 . . . . 15.0 109.884 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -74.4 -32.37 62.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.342 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.34 -34.62 77.7 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.028 -0.73 . . . . 15.0 109.028 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.36 -44.43 87.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.001 -1.0 . . . . 15.0 110.278 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.47 -13.19 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.886 -0.597 . . . . 15.0 111.504 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.08 -33.76 76.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.503 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -114.3 -177.89 3.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.839 -0.43 . . . . 15.0 109.839 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.78 84.88 7.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.076 0.465 . . . . 15.0 110.698 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.3 mp -116.55 150.53 37.83 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.219 -0.66 . . . . 15.0 109.219 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.91 148.93 27.07 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.717 0.294 . . . . 15.0 111.18 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -80.26 123.1 36.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.336 -0.616 . . . . 15.0 109.336 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.21 136.22 24.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.328 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -104.73 110.29 22.57 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -92.2 111.4 22.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.429 -0.952 . . . . 15.0 108.429 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 70.99 -72.14 0.12 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 124.029 0.831 . . . . 15.0 110.763 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.98 16.96 0.12 Allowed Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.135 -0.786 . . . . 15.0 111.135 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' B' ' 59' ' ' PRO . 0.8 OUTLIER -119.95 145.16 39.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 110.173 -0.306 . . . . 15.0 110.173 -179.601 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 8.1 Cg_exo -71.54 121.54 7.8 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.387 2.058 . . . . 15.0 111.691 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -122.27 167.89 12.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.091 -0.504 . . . . 15.0 110.34 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.36 178.75 5.85 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.556 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 34.5 t -113.36 123.8 69.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.767 -0.827 . . . . 15.0 108.767 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 28.8 p -73.67 174.58 8.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.297 0.57 . . . . 15.0 111.22 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.25 -16.55 63.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.414 -0.812 . . . . 15.0 110.805 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -81.72 -55.53 4.58 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.847 -0.615 . . . . 15.0 110.429 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 m -70.45 -18.72 63.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 15.0 111.553 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -43.15 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.035 -0.529 . . . . 15.0 112.199 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.67 -21.14 38.3 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.927 -0.309 . . . . 15.0 111.763 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -77.58 -41.73 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.843 0.354 . . . . 15.0 111.694 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.78 -0.628 . . . . 15.0 110.709 -178.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.541 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 20.5 ptm . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 110.07 -0.344 . . . . 15.0 110.07 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.44 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -141.03 107.18 5.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.184 0.516 . . . . 15.0 110.665 179.572 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.95 -166.54 2.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.577 -0.738 . . . . 15.0 110.277 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -46.76 141.62 5.33 Favored Pre-proline 0 C--O 1.236 0.35 0 O-C-N 123.606 0.566 . . . . 15.0 111.176 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -86.48 9.04 60.95 Favored 'Cis proline' 0 C--N 1.345 0.393 0 C-N-CA 123.676 -1.385 . . . . 15.0 113.771 1.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -75.29 129.91 38.22 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.176 -0.305 . . . . 15.0 110.176 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -91.42 -17.59 25.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.587 -0.279 . . . . 15.0 110.643 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.511 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 4.4 mtm180 69.88 82.98 0.17 Allowed Pre-proline 0 C--O 1.234 0.271 0 CA-C-N 116.041 -0.527 . . . . 15.0 111.873 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -75.67 161.94 36.1 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.589 2.192 . . . . 15.0 111.313 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -92.8 4.26 54.14 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.998 0.37 . . . . 15.0 111.998 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -114.76 136.37 53.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.776 0.322 . . . . 15.0 110.281 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.451 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 26.9 tp -55.77 -54.68 49.11 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 113.541 0.941 . . . . 15.0 113.541 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 12.4 Cg_endo -56.11 -35.53 95.13 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.019 1.813 . . . . 15.0 112.638 -179.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -73.37 -38.07 65.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.675 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -63.91 -34.78 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -56.51 -35.08 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -48.15 76.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.093 0.473 . . . . 15.0 111.202 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.84 -27.58 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.814 -0.63 . . . . 15.0 110.699 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.44 ' HB3' HG22 ' A' ' 21' ' ' THR . 0.3 OUTLIER -84.15 -9.29 58.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.841 -0.618 . . . . 15.0 110.207 179.234 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 62.34 40.37 11.29 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.584 -0.735 . . . . 15.0 111.619 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.44 HG22 ' HB3' ' A' ' 19' ' ' LEU . 6.1 t -146.35 -175.14 4.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.067 -0.515 . . . . 15.0 109.884 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.5 p -118.47 177.72 4.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.751 0.31 . . . . 15.0 110.486 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mt -73.3 -11.05 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.442 0.639 . . . . 15.0 110.106 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -83.82 -18.77 36.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.872 -0.603 . . . . 15.0 110.314 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -142.49 71.12 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.138 0.494 . . . . 15.0 111.376 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 tt -138.64 124.46 23.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.065 0.459 . . . . 15.0 110.142 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.7 mm -111.52 110.37 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.974 0.416 . . . . 15.0 110.567 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.1 mp -112.53 153.79 26.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.399 -0.593 . . . . 15.0 109.399 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -109.32 155.53 21.06 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.826 0.346 . . . . 15.0 110.836 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.476 ' HB3' ' H ' ' A' ' 35' ' ' GLN . 43.0 t -72.45 145.39 47.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.779 -0.646 . . . . 15.0 110.75 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.89 -27.61 16.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.805 -0.634 . . . . 15.0 111.718 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.457 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 42.2 m-85 -106.83 -44.93 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.999 0.37 . . . . 15.0 111.999 -178.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.6 m -86.81 -22.92 25.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.554 0.216 . . . . 15.0 111.233 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 8.6 mttt 61.12 29.18 18.72 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.334 0.588 . . . . 15.0 110.556 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.476 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 31.2 mm-40 -91.63 153.23 19.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.57 -0.741 . . . . 15.0 110.021 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -82.14 121.23 26.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.376 -0.375 . . . . 15.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.1 140.68 33.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.25 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 42' ' ' VAL . 65.5 mt -95.93 171.76 8.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.138 0.494 . . . . 15.0 111.442 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -58.86 -22.39 58.94 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.364 -0.834 . . . . 15.0 111.282 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -65.13 -52.52 54.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.545 . . . . 15.0 111.533 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -79.35 -27.0 41.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.488 -0.324 . . . . 15.0 111.588 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 38' ' ' LEU . 39.7 t -58.98 -39.93 79.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 15.0 110.817 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -69.65 -36.87 76.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.872 0.368 . . . . 15.0 110.71 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.88 -30.63 71.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.319 0.581 . . . . 15.0 109.944 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -64.56 -39.76 94.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.17 -0.923 . . . . 15.0 110.492 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.57 -20.77 29.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 15.0 111.262 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -68.06 -33.73 75.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.505 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -111.85 172.09 7.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.63 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -89.88 79.71 6.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.484 . . . . 15.0 111.19 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 67' ' ' LEU . 5.4 mp -104.69 166.84 10.12 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.019 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.3 m -123.5 147.28 47.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.037 -0.529 . . . . 15.0 110.312 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.405 HD11 ' HA ' ' A' ' 12' ' ' LEU . 56.3 mt -83.52 130.22 36.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.478 -0.328 . . . . 15.0 110.223 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.81 134.56 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.905 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.511 ' CE1' ' HB3' ' A' ' 8' ' ' ARG . 23.7 m-85 -115.9 109.6 17.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.187 0.518 . . . . 15.0 111.805 -178.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HD2' ' HB2' ' A' ' 56' ' ' ASP . 6.8 tmm_? -101.58 121.06 41.3 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.304 -0.998 . . . . 15.0 108.304 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 0.7 OUTLIER 71.7 -69.01 0.2 Allowed 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.987 0.804 . . . . 15.0 110.499 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.89 29.0 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.719 -0.673 . . . . 15.0 111.5 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.541 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 76.6 m-20 -124.92 146.22 52.62 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 110.25 -0.278 . . . . 15.0 110.25 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.33 118.49 4.94 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.622 2.215 . . . . 15.0 112.477 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -122.11 146.93 46.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.382 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.461 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -108.81 170.08 8.27 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.039 -0.528 . . . . 15.0 110.875 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.3 t -100.15 113.88 37.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.589 -0.732 . . . . 15.0 109.603 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 27.0 p -77.34 179.72 6.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.239 0.542 . . . . 15.0 111.709 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -63.7 -25.18 68.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.451 -0.795 . . . . 15.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -82.79 -54.71 4.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.524 . . . . 15.0 111.308 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 54.4 m -71.26 -17.44 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.64 0.607 . . . . 15.0 112.64 -178.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -51.1 -45.49 61.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.971 0.415 . . . . 15.0 111.734 179.576 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -79.77 -18.69 50.46 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.764 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -78.37 -50.39 11.83 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.257 0.466 . . . . 15.0 112.257 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.346 -0.835 . . . . 15.0 111.1 -178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.688 0.28 . . . . 15.0 110.491 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -133.3 141.9 48.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.164 -0.471 . . . . 15.0 110.217 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -84.31 174.03 10.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.438 0.637 . . . . 15.0 112.053 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.57 145.76 45.47 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 114.932 -1.031 . . . . 15.0 109.681 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -88.34 -82.76 0.0 OUTLIER 'Cis proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.937 -1.276 . . . . 15.0 112.145 0.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -100.87 78.16 1.92 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.97 0.414 . . . . 15.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -88.78 14.52 10.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 122.28 1.038 . . . . 15.0 108.474 178.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.581 ' HG3' ' CZ ' ' B' ' 54' ' ' TYR . 0.0 OUTLIER -137.75 151.8 71.31 Favored Pre-proline 0 N--CA 1.449 -0.522 0 CA-C-N 114.628 -1.169 . . . . 15.0 110.169 -178.779 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.463 ' HD3' ' HG3' ' B' ' 18' ' ' GLU . 66.1 Cg_endo -90.8 160.38 4.12 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.963 2.442 . . . . 15.0 112.548 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -87.94 -0.85 57.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.394 -0.366 . . . . 15.0 111.43 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.457 ' HD2' ' OE1' ' B' ' 14' ' ' GLN . 90.2 mttt -102.46 130.03 49.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.416 -0.357 . . . . 15.0 110.332 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.644 ' HA ' HD11 ' B' ' 52' ' ' ILE . 39.4 tp -54.17 -54.44 47.59 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 113.059 0.763 . . . . 15.0 113.059 -179.05 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 13.0 Cg_endo -56.02 -36.0 95.42 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.063 1.842 . . . . 15.0 112.846 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.457 ' OE1' ' HD2' ' B' ' 11' ' ' LYS . 20.2 mt-30 -73.92 -34.9 64.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.369 -0.378 . . . . 15.0 110.491 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.793 HD22 HD13 ' B' ' 52' ' ' ILE . 40.8 tp -63.0 -39.35 94.49 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 116.418 -0.355 . . . . 15.0 110.407 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.8 m -58.45 -43.5 88.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 15.0 109.844 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 14.7 m -64.24 -44.14 92.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.792 -0.64 . . . . 15.0 111.045 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.463 ' HG3' ' HD3' ' B' ' 9' ' ' PRO . 81.3 mm-40 -65.1 -35.7 81.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.55 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -81.42 -2.14 48.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.677 -0.692 . . . . 15.0 110.897 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 57.83 45.86 17.87 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 121.222 0.534 . . . . 15.0 110.922 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -148.08 179.48 7.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.009 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 71.5 p -98.76 176.1 5.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.58 0.228 . . . . 15.0 110.47 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.408 ' H ' HG13 ' B' ' 23' ' ' ILE . 6.2 mt -77.27 -12.76 14.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.515 0.674 . . . . 15.0 110.191 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -95.12 -23.54 17.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.552 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -106.4 4.73 28.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.173 -0.467 . . . . 15.0 111.701 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.3 tt -80.79 124.39 38.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.216 0.531 . . . . 15.0 110.19 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 mm -99.75 106.77 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.076 0.465 . . . . 15.0 111.002 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.509 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.0 OUTLIER -128.1 143.74 51.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.637 -0.71 . . . . 15.0 109.542 178.866 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' B' ' 36' ' ' GLN . 4.5 pt-20 -116.97 166.95 11.59 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.703 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 40.7 t -67.79 143.81 55.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.183 0.516 . . . . 15.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.51 -25.58 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.333 -0.848 . . . . 15.0 111.754 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -117.73 -47.08 2.63 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.418 0.525 . . . . 15.0 112.418 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 18.7 m -68.1 -24.49 65.04 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.525 0.203 . . . . 15.0 110.976 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 tptp 64.22 15.95 9.73 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.905 -0.589 . . . . 15.0 111.353 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.23 139.66 35.59 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.552 -0.536 . . . . 15.0 109.552 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.415 ' HA ' ' HA ' ' B' ' 29' ' ' GLU . 18.4 pt20 -65.72 139.33 58.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.932 0.396 . . . . 15.0 110.907 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -84.7 142.9 29.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.895 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.447 ' O ' HG23 ' B' ' 42' ' ' VAL . 51.0 mt -82.71 149.1 27.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.961 -0.755 . . . . 15.0 108.961 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.43 ' HB3' ' HE ' ' B' ' 39' ' ' ARG . 0.0 OUTLIER -52.59 -28.6 21.78 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.376 0.51 . . . . 15.0 112.376 -178.549 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -61.48 -46.22 90.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.621 0.248 . . . . 15.0 110.624 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -74.93 -30.13 61.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.931 0.396 . . . . 15.0 110.089 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 38' ' ' LEU . 60.7 t -64.16 -34.89 71.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.046 -0.524 . . . . 15.0 109.64 178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -62.26 -44.9 95.5 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.024 178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -70.44 -27.71 64.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.521 . . . . 15.0 110.488 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -63.33 -35.62 81.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.762 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.95 -20.09 29.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.295 0.569 . . . . 15.0 110.298 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -75.18 -40.09 59.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.502 -0.772 . . . . 15.0 109.619 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -95.58 162.21 13.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.593 -0.731 . . . . 15.0 109.845 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -84.71 95.56 8.96 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.496 -0.557 . . . . 15.0 109.496 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.7 mt -132.95 142.59 48.96 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.409 -0.36 . . . . 15.0 110.591 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.5 m -100.71 155.51 17.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.793 HD13 HD22 ' B' ' 15' ' ' LEU . 62.5 mt -80.61 132.72 31.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.792 0.33 . . . . 15.0 110.687 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 t -90.99 136.29 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.342 -0.614 . . . . 15.0 109.342 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.581 ' CZ ' ' HG3' ' B' ' 8' ' ' ARG . 50.0 m-85 -120.9 110.2 16.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.085 0.469 . . . . 15.0 111.96 -178.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 0.7 OUTLIER -103.37 115.88 31.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.092 -1.077 . . . . 15.0 108.092 178.035 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 10.1 t70 73.4 -52.92 0.7 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.823 0.702 . . . . 15.0 110.613 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 174.15 -26.47 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 121.173 -0.537 . . . . 15.0 112.379 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -71.86 143.16 86.42 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.55 0.214 . . . . 15.0 110.594 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -74.53 122.43 7.42 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.706 2.271 . . . . 15.0 112.473 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -123.01 149.45 44.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.083 0.468 . . . . 15.0 110.723 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.509 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -115.99 -176.24 2.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.765 -0.652 . . . . 15.0 110.201 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 t -118.77 119.8 62.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.556 -0.535 . . . . 15.0 109.556 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 2.1 p -80.48 170.81 15.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.468 0.175 . . . . 15.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -53.14 -36.09 60.44 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.981 -0.554 . . . . 15.0 111.429 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.583 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 9.1 mtpt -64.57 -54.55 30.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.248 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 17.3 m -73.03 -27.07 61.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.787 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -59.06 -33.89 71.31 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.456 0.539 . . . . 15.0 112.456 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 61.0 pttt -78.66 -22.87 46.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.764 0.316 . . . . 15.0 110.597 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -77.66 -51.42 10.64 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.196 0.443 . . . . 15.0 112.196 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.398 -0.811 . . . . 15.0 111.748 -177.82 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptm . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.879 0.371 . . . . 15.0 110.276 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.527 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -137.76 124.47 21.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.106 -0.497 . . . . 15.0 109.87 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.423 HE21 ' HB2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -136.48 -160.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.692 -0.484 . . . . 15.0 109.692 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.419 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 9.1 t70 -46.6 143.56 3.99 Favored Pre-proline 0 N--CA 1.471 0.577 0 O-C-N 123.794 0.684 . . . . 15.0 111.313 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HA ' ' OD1' ' A' ' 4' ' ' ASP . 74.0 Cg_endo -76.79 -3.41 26.54 Favored 'Cis proline' 0 C--N 1.35 0.607 0 C-N-CA 123.691 -1.379 . . . . 15.0 113.7 1.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -73.31 119.07 17.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.94 0.4 . . . . 15.0 109.948 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -89.94 -15.52 31.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.159 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.527 ' HD3' ' O ' ' A' ' 2' ' ' PHE . 9.0 mtm180 68.32 86.92 0.12 Allowed Pre-proline 0 N--CA 1.462 0.156 0 O-C-N 123.886 0.741 . . . . 15.0 110.579 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.05 165.37 31.52 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.621 2.214 . . . . 15.0 112.05 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -95.41 21.52 8.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.093 0.473 . . . . 15.0 110.775 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -125.64 125.11 42.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.584 . . . . 15.0 110.055 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 49.5 tp -52.67 -53.18 56.92 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 113.393 0.886 . . . . 15.0 113.393 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 12.3 Cg_endo -55.89 -33.93 90.21 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.326 2.017 . . . . 15.0 113.149 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -84.67 -33.49 23.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.901 0.382 . . . . 15.0 110.65 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.3 tp -62.0 -38.31 88.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.972 -0.558 . . . . 15.0 110.225 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.0 m -59.71 -36.34 76.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.498 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -65.86 -40.67 91.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.674 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.99 -37.0 85.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 15.0 110.577 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.57 0.72 55.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.557 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 58.76 45.51 15.51 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.308 0.38 . . . . 15.0 111.281 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -152.05 -170.18 3.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.723 -0.217 . . . . 15.0 110.513 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.7 p -122.94 177.62 5.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.954 0.407 . . . . 15.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.406 ' HA ' HG22 ' A' ' 26' ' ' ILE . 26.4 mt -67.87 -19.1 24.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.957 -0.565 . . . . 15.0 111.078 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -83.66 -3.26 57.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.139 -0.482 . . . . 15.0 111.421 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -132.09 -27.03 1.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.235 0.457 . . . . 15.0 112.235 -178.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.406 HG22 ' HA ' ' A' ' 23' ' ' ILE . 20.2 tt -55.79 134.02 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 121.301 0.572 . . . . 15.0 111.482 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.7 mm -102.73 115.98 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.77 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.563 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.1 mp -124.37 139.08 54.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.881 -0.6 . . . . 15.0 109.79 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 4.2 pt-20 -122.87 164.16 18.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.881 -0.145 . . . . 15.0 110.719 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.8 t -67.97 137.3 55.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.126 0.489 . . . . 15.0 110.817 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.495 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 10.0 p -66.93 -26.99 38.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.814 -0.63 . . . . 15.0 111.554 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -105.61 -54.64 2.45 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.048 0.388 . . . . 15.0 112.048 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.0 m -74.59 -22.27 59.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.014 0.376 . . . . 15.0 112.014 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 mptt 63.21 25.5 14.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.23 0.538 . . . . 15.0 110.903 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -90.0 134.05 34.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.937 -0.574 . . . . 15.0 109.499 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -68.92 120.53 14.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.902 0.382 . . . . 15.0 110.533 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -85.53 122.48 29.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.944 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.2 mt -64.58 147.66 52.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.411 -0.589 . . . . 15.0 109.411 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -53.71 -29.86 41.1 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.759 0.314 . . . . 15.0 111.401 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.418 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 48.9 ttp180 -60.68 -40.82 93.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.277 -0.42 . . . . 15.0 110.679 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.85 -33.01 65.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.927 -0.578 . . . . 15.0 109.775 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.48 -33.22 60.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.528 -0.76 . . . . 15.0 110.375 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 20.0 m-85 -61.9 -31.68 71.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 15.0 110.343 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -30.96 60.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.333 0.587 . . . . 15.0 109.594 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -65.97 -38.52 88.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.171 -0.922 . . . . 15.0 110.082 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.68 -16.67 50.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.015 -0.538 . . . . 15.0 111.763 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -77.18 -22.59 52.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.357 0.599 . . . . 15.0 109.936 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -116.53 171.49 7.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.017 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -93.48 95.53 9.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.623 -0.51 . . . . 15.0 109.623 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -122.54 154.93 37.23 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.632 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.16 148.24 22.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.725 -0.67 . . . . 15.0 111.061 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.2 mt -95.3 123.38 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.02 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.7 137.27 22.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.794 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -116.09 124.5 50.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.1 107.16 18.99 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.155 -0.683 . . . . 15.0 109.155 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t70 68.96 -74.07 0.08 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.043 0.839 . . . . 15.0 110.898 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.35 12.55 0.27 Allowed Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.796 -0.522 . . . . 15.0 111.796 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -114.29 137.62 22.63 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.44 130.06 21.53 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.877 2.384 . . . . 15.0 111.974 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.495 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 9.2 m-85 -130.3 166.5 20.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.965 0.412 . . . . 15.0 110.839 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.563 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -121.66 -176.42 3.31 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.927 -0.579 . . . . 15.0 110.948 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.6 t -123.44 122.44 65.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.694 -0.685 . . . . 15.0 109.533 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 25.6 p -74.03 173.18 10.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.668 0.271 . . . . 15.0 110.761 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.26 -23.19 67.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.195 0.521 . . . . 15.0 110.613 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -75.95 -56.71 4.41 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.828 -0.624 . . . . 15.0 110.496 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 64.0 m -71.97 -19.23 61.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.546 -0.752 . . . . 15.0 111.627 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.7 OUTLIER -57.72 -46.85 83.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.171 0.51 . . . . 15.0 111.479 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -83.08 -25.05 32.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.231 0.538 . . . . 15.0 110.582 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -50.48 20.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.63 -0.714 . . . . 15.0 112.298 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 . . . . . 0 C--O 1.244 0.787 0 CA-C-O 118.505 -0.759 . . . . 15.0 110.665 -179.024 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.034 -0.358 . . . . 15.0 110.034 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.446 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 0.0 OUTLIER -143.03 111.66 6.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.201 0.524 . . . . 15.0 110.977 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.453 ' HA ' ' NH1' ' B' ' 8' ' ' ARG . 4.5 pm0 -137.74 -166.74 2.01 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.31 151.89 45.86 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 109.99 -0.374 . . . . 15.0 109.99 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -87.01 24.49 17.56 Favored 'Cis proline' 0 CA--C 1.533 0.427 0 C-N-CA 124.271 -1.137 . . . . 15.0 114.09 0.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -72.81 141.13 48.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.369 -0.604 . . . . 15.0 109.369 178.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.57 -36.71 71.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.718 0.294 . . . . 15.0 110.839 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.453 ' NH1' ' HA ' ' B' ' 3' ' ' GLN . 62.2 mtm180 61.78 71.77 0.72 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.541 -0.754 . . . . 15.0 111.111 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.2 170.17 13.79 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.408 2.072 . . . . 15.0 111.933 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.89 2.78 38.49 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.962 -0.295 . . . . 15.0 111.617 -179.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -116.76 132.14 56.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.912 -0.403 . . . . 15.0 109.912 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 37.8 tp -52.07 -51.15 74.08 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 113.063 0.764 . . . . 15.0 113.063 -178.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.4 Cg_endo -55.89 -34.15 90.82 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.054 1.836 . . . . 15.0 112.637 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -77.76 -33.32 52.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.892 0.377 . . . . 15.0 110.351 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.422 HD22 HD13 ' B' ' 52' ' ' ILE . 48.8 tp -65.85 -34.54 78.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.204 0.526 . . . . 15.0 109.679 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.1 m -61.13 -37.65 83.57 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.614 -0.721 . . . . 15.0 110.081 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -40.27 93.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.324 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.66 -33.8 76.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.899 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mt -86.53 -3.9 59.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.603 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 60.92 41.62 14.05 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.554 -0.748 . . . . 15.0 111.216 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -144.1 -175.24 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.94 -0.573 . . . . 15.0 109.843 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p -110.13 172.13 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.953 0.406 . . . . 15.0 111.343 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.513 ' HA ' HG22 ' B' ' 26' ' ' ILE . 5.8 mt -71.57 -7.18 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.441 0.639 . . . . 15.0 110.447 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -93.5 -6.56 46.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.531 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -125.57 -25.5 3.7 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.02 0.378 . . . . 15.0 112.02 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.513 HG22 ' HA ' ' B' ' 23' ' ' ILE . 21.2 tt -61.5 125.26 17.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.367 0.603 . . . . 15.0 111.281 -179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 47.7 mm -114.47 114.01 45.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.939 -0.573 . . . . 15.0 109.98 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.2 mp -111.8 160.91 16.89 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.164 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -107.71 151.99 24.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.399 -0.364 . . . . 15.0 110.627 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 41.7 t -69.31 137.97 53.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.305 -0.407 . . . . 15.0 110.413 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' B' ' 60' ' ' TYR . 12.3 p -68.87 -25.0 29.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.701 -0.681 . . . . 15.0 111.784 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -110.81 -55.36 2.49 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.801 -0.359 . . . . 15.0 111.867 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 m -68.53 -21.67 64.55 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.619 0.229 . . . . 15.0 111.619 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm 59.55 30.03 19.65 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.018 -0.537 . . . . 15.0 111.178 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -105.46 169.2 8.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.515 -0.311 . . . . 15.0 110.521 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -77.62 123.51 26.73 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.885 -0.783 . . . . 15.0 108.885 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.64 132.83 49.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.868 0.366 . . . . 15.0 111.028 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 42' ' ' VAL . 57.1 mt -76.23 164.66 25.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.886 -0.597 . . . . 15.0 110.336 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -54.45 -44.95 72.97 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.43 -0.35 . . . . 15.0 111.336 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -65.5 -37.04 85.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.58 -0.282 . . . . 15.0 111.18 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.464 ' OE2' ' HB2' ' B' ' 63' ' ' CYS . 53.7 mt-10 -66.51 -40.49 89.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.746 0.307 . . . . 15.0 110.317 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 38' ' ' LEU . 58.7 t -65.89 -42.7 92.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.12 0.486 . . . . 15.0 109.847 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -66.05 -35.27 80.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.949 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -35.86 82.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.093 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -67.25 -33.43 75.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.054 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.65 -15.99 55.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 15.0 111.118 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -93.48 -39.83 10.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.544 . . . . 15.0 110.74 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -93.95 133.95 36.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.218 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.23 95.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.439 0.638 . . . . 15.0 110.93 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mt -131.53 179.21 6.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.274 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 9.3 p -127.05 151.67 48.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.169 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.447 HD11 ' HA ' ' B' ' 12' ' ' LEU . 77.2 mt -80.29 122.45 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.951 0.405 . . . . 15.0 110.603 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.69 114.32 31.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.766 -0.652 . . . . 15.0 110.608 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -93.48 111.01 22.58 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.146 0.498 . . . . 15.0 110.495 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -98.35 114.05 26.23 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.597 -0.89 . . . . 15.0 108.597 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t70 73.72 -51.41 0.7 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 124.05 0.844 . . . . 15.0 111.616 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.51 8.77 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.747 -0.74 . . . . 15.0 112.529 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.406 ' HA ' ' HD3' ' B' ' 59' ' ' PRO . 1.0 OUTLIER -106.46 140.47 21.35 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.862 -0.421 . . . . 15.0 109.862 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 22.3 Cg_exo -64.28 107.15 0.77 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.372 2.048 . . . . 15.0 111.677 179.038 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' TYR . . . . . 0.402 ' HB3' ' HB ' ' B' ' 31' ' ' VAL . 51.1 m-85 -117.31 147.27 42.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.878 -0.601 . . . . 15.0 110.309 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.517 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -127.15 168.95 13.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.117 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 t -97.78 113.12 31.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.575 -0.898 . . . . 15.0 108.575 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' CYS . . . . . 0.464 ' HB2' ' OE2' ' B' ' 41' ' ' GLU . 29.5 p -73.15 173.06 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.962 0.41 . . . . 15.0 111.574 -178.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.01 -21.77 65.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.634 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.532 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 0.7 OUTLIER -82.68 -50.47 8.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.973 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 66.0 m -69.99 -26.39 64.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.733 0.301 . . . . 15.0 111.204 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.59 -43.86 89.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 15.0 111.769 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -79.49 -13.48 59.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.637 0.256 . . . . 15.0 111.215 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.05 -26.85 54.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 15.0 111.228 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.544 -0.741 . . . . 15.0 111.222 -179.054 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptm . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.444 -0.206 . . . . 15.0 110.444 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.477 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -155.18 113.21 3.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.891 0.377 . . . . 15.0 110.239 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.83 -162.1 1.16 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.976 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.88 154.85 12.86 Favored Pre-proline 0 N--CA 1.465 0.301 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.456 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.87 4.52 19.74 Favored 'Cis proline' 0 C--N 1.347 0.49 0 C-N-CA 123.653 -1.394 . . . . 15.0 113.277 0.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -79.61 108.02 12.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.378 -0.374 . . . . 15.0 110.263 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -75.22 -13.69 60.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.373 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.477 ' HD3' ' O ' ' A' ' 2' ' ' PHE . 5.8 mtm180 67.89 92.37 0.06 OUTLIER Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 115.739 -0.664 . . . . 15.0 111.086 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -63.93 158.83 45.16 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.221 1.947 . . . . 15.0 111.254 178.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -93.38 18.66 9.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.038 0.447 . . . . 15.0 111.204 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -128.38 129.11 45.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.914 -0.585 . . . . 15.0 109.757 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 37.2 tp -50.53 -52.78 52.5 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 113.708 1.003 . . . . 15.0 113.708 -178.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 9.3 Cg_endo -52.85 -35.88 71.93 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 122.467 2.111 . . . . 15.0 113.761 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -85.47 -24.97 27.17 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.547 0.203 . . . . 15.0 111.547 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.9 tp -72.3 -34.55 68.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 15.0 110.698 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.553 ' SG ' HG12 ' A' ' 23' ' ' ILE . 58.9 m -59.48 -40.6 87.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.562 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -31.54 72.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 15.0 111.18 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.71 -37.94 89.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.211 0.529 . . . . 15.0 110.006 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.2 mt -84.77 -2.81 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.44 -0.8 . . . . 15.0 110.295 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 61.4 32.3 19.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.525 -0.761 . . . . 15.0 111.228 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -130.91 178.66 6.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.092 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.4 p -101.08 168.14 9.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.031 0.444 . . . . 15.0 111.448 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.553 HG12 ' SG ' ' A' ' 16' ' ' CYS . 11.5 mt -69.01 -11.1 14.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.629 0.728 . . . . 15.0 110.352 179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -91.12 -0.51 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.546 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -125.74 -32.1 2.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.247 0.462 . . . . 15.0 112.247 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.495 HG22 ' HA ' ' A' ' 23' ' ' ILE . 13.9 tt -61.38 124.03 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.257 0.551 . . . . 15.0 111.431 -179.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 mm -113.47 108.99 26.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.991 -0.55 . . . . 15.0 110.393 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tp -109.96 156.06 20.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.247 -0.433 . . . . 15.0 109.973 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 2.8 pt-20 -113.72 162.47 16.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.668 -0.242 . . . . 15.0 110.523 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.526 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 44.3 t -67.39 140.54 57.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.254 0.549 . . . . 15.0 111.176 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.8 p -74.21 -18.44 17.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.376 -0.829 . . . . 15.0 111.328 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -101.83 -65.04 1.01 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.223 0.453 . . . . 15.0 112.223 -178.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.74 -2.95 58.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.599 0.592 . . . . 15.0 112.599 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 8.9 mptt 60.59 25.62 15.32 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.717 0.407 . . . . 15.0 111.972 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.452 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 3.6 mm-40 -77.32 133.31 38.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.498 -0.319 . . . . 15.0 110.254 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -70.88 119.02 14.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.751 0.31 . . . . 15.0 110.283 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mp -79.9 132.8 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.796 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.563 HD23 ' H ' ' A' ' 40' ' ' ARG . 0.4 OUTLIER -76.49 155.94 33.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.066 -0.716 . . . . 15.0 109.066 178.852 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -50.55 -32.1 17.54 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.926 0.393 . . . . 15.0 111.412 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.563 ' H ' HD23 ' A' ' 38' ' ' LEU . 54.2 ttp180 -61.24 -45.0 96.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.67 -0.695 . . . . 15.0 111.259 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.98 -27.51 60.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.031 -0.531 . . . . 15.0 110.439 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 38' ' ' LEU . 98.2 t -64.89 -36.01 76.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.82 -0.627 . . . . 15.0 110.044 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -67.91 -35.02 77.73 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.047 -0.524 . . . . 15.0 110.06 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.65 -30.02 69.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.725 -0.67 . . . . 15.0 110.112 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -71.0 -34.06 71.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.139 -0.937 . . . . 15.0 110.61 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.43 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -84.43 -17.98 37.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.722 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -91.74 16.7 10.19 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.916 0.389 . . . . 15.0 111.292 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.91 154.3 38.09 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.475 -0.565 . . . . 15.0 109.475 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -78.14 78.02 4.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.436 0.636 . . . . 15.0 110.505 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.4 mt -116.02 160.43 20.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.731 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.29 155.72 31.29 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.078 0.466 . . . . 15.0 110.929 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.46 HD11 ' HA ' ' A' ' 12' ' ' LEU . 50.6 mt -87.45 126.86 41.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.529 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.9 t -93.4 119.21 40.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.314 -0.624 . . . . 15.0 109.314 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -93.65 111.97 23.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.23 0.538 . . . . 15.0 111.461 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.89 104.57 12.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.504 -0.771 . . . . 15.0 109.051 179.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 t70 69.13 -70.46 0.14 Allowed 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.99 0.806 . . . . 15.0 111.053 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -162.45 33.73 0.33 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.787 -0.721 . . . . 15.0 112.576 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -138.23 145.66 48.3 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 110.365 -0.235 . . . . 15.0 110.365 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -69.57 118.97 6.0 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.75 2.3 . . . . 15.0 112.832 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.426 ' CE2' ' HG3' ' A' ' 29' ' ' GLU . 37.3 m-85 -131.93 147.11 52.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.027 179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -112.02 -176.46 2.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.761 0.315 . . . . 15.0 110.536 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 t -113.56 120.16 62.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.228 -0.656 . . . . 15.0 109.228 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 25.9 p -72.33 171.52 12.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.073 0.464 . . . . 15.0 111.095 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -63.51 -19.24 64.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.685 -0.688 . . . . 15.0 110.511 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -78.55 -58.92 3.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.859 -0.61 . . . . 15.0 111.033 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 16.6 m -72.72 -22.75 60.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.608 0.596 . . . . 15.0 112.608 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.3 -47.87 55.39 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.034 0.383 . . . . 15.0 112.034 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -77.67 -24.56 49.31 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.25 0.463 . . . . 15.0 112.25 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -76.19 -49.85 16.12 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.811 0.671 . . . . 15.0 112.811 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 . . . . . 0 C--O 1.254 1.325 0 CA-C-O 118.671 -0.68 . . . . 15.0 111.969 -177.481 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tmm? . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -87.58 138.33 31.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.869 0.366 . . . . 15.0 111.186 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -69.81 167.32 17.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.361 -0.836 . . . . 15.0 112.117 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ASP . . . . . 0.629 ' OD2' ' HA ' ' B' ' 5' ' ' PRO . 0.1 OUTLIER -89.32 169.26 13.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.135 -0.939 . . . . 15.0 109.77 179.607 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.629 ' HA ' ' OD2' ' B' ' 4' ' ' ASP . 6.1 Cg_endo -88.51 -82.32 0.0 OUTLIER 'Cis proline' 0 N--CA 1.459 -0.515 0 C-N-CA 124.414 -1.077 . . . . 15.0 112.814 -0.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -111.5 23.89 13.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.243 0.544 . . . . 15.0 110.342 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.59 53.76 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.82 -0.627 . . . . 15.0 110.191 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.493 ' HB3' ' CE2' ' B' ' 54' ' ' TYR . 36.5 mtt-85 -121.1 98.85 46.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.801 -0.636 . . . . 15.0 110.387 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.44 153.82 68.36 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.114 2.543 . . . . 15.0 113.191 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 49.2 mmt-85 -102.49 1.48 35.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.766 -0.652 . . . . 15.0 111.162 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -106.82 128.85 54.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.521 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.488 ' HA ' HD11 ' B' ' 52' ' ' ILE . 61.1 tp -54.01 -53.21 60.83 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.556 0.576 . . . . 15.0 112.556 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.9 Cg_endo -54.87 -42.71 66.3 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 122.005 1.803 . . . . 15.0 112.56 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -71.14 -36.45 72.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.684 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.422 HD23 HD11 ' B' ' 26' ' ' ILE . 30.0 tp -62.25 -41.28 98.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.488 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 54.3 m -62.52 -35.09 78.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.033 -0.53 . . . . 15.0 110.537 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -67.3 -37.18 82.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.919 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -69.6 -32.45 71.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.965 0.412 . . . . 15.0 110.753 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 67.0 mt -84.68 -0.16 52.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.575 . . . . 15.0 110.712 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 59.68 38.93 21.66 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.758 -0.656 . . . . 15.0 111.366 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 12.6 t -142.38 -173.1 3.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.307 -0.406 . . . . 15.0 110.297 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.0 p -109.95 169.76 8.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.937 0.398 . . . . 15.0 110.754 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.1 mt -66.32 -15.7 19.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.537 0.684 . . . . 15.0 110.444 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.442 ' HA ' ' HD2' ' B' ' 39' ' ' ARG . 14.8 m170 -88.8 -4.84 58.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.754 -0.657 . . . . 15.0 111.59 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -125.42 -31.57 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.094 0.405 . . . . 15.0 112.094 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.422 HD11 HD23 ' B' ' 15' ' ' LEU . 15.8 tt -47.2 130.26 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.815 0.672 . . . . 15.0 112.815 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mm -85.07 125.52 40.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.668 -0.696 . . . . 15.0 109.441 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' B' ' 28' ' ' LEU . 3.5 tp -136.78 135.95 38.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.71 0.29 . . . . 15.0 110.641 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.64 161.76 17.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.89 -0.595 . . . . 15.0 109.939 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' CYS . . . . . 0.545 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 42.4 t -78.23 143.75 36.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.73 0.3 . . . . 15.0 110.257 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.2 p -80.31 -22.5 11.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.26 -0.427 . . . . 15.0 111.291 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -105.69 -46.81 4.06 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.945 -0.302 . . . . 15.0 111.408 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' CYS . . . . . 0.41 ' SG ' ' NZ ' ' B' ' 65' ' ' LYS . 11.4 m -83.11 -23.19 33.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.486 -0.324 . . . . 15.0 110.78 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.545 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 0.1 OUTLIER 61.2 24.5 14.6 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.62 -0.718 . . . . 15.0 112.132 179.43 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -105.39 168.67 8.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 15.0 109.869 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -70.34 131.61 44.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.671 0.272 . . . . 15.0 110.613 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.79 136.95 36.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.638 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.474 ' O ' HG23 ' B' ' 42' ' ' VAL . 61.4 mt -67.49 143.87 55.97 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.423 -0.584 . . . . 15.0 109.423 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.442 ' HD2' ' HA ' ' B' ' 24' ' ' HIS . 15.7 tpp180 -56.15 -36.41 68.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.61 -0.268 . . . . 15.0 111.164 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.438 ' HD3' ' CG ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -64.36 -38.03 89.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.843 179.545 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.89 -33.5 73.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.114 0.483 . . . . 15.0 110.104 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 38' ' ' LEU . 35.4 t -62.66 -34.33 64.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.953 -0.567 . . . . 15.0 109.622 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.64 -41.86 99.27 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.794 -0.639 . . . . 15.0 110.033 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.49 -39.59 88.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 15.0 110.045 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.12 -33.32 74.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.253 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.23 -15.58 43.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.935 -0.575 . . . . 15.0 110.912 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -84.83 -55.67 3.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.202 -0.453 . . . . 15.0 109.964 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -84.89 130.79 34.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.55 -0.537 . . . . 15.0 109.55 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -68.07 94.64 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.185 0.517 . . . . 15.0 111.372 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 43.4 mt -118.07 -173.39 2.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.604 -0.725 . . . . 15.0 110.171 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 5.1 m -127.37 144.45 51.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.453 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.488 HD11 ' HA ' ' B' ' 12' ' ' LEU . 51.5 mt -82.03 127.87 39.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.956 -0.566 . . . . 15.0 110.569 179.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.6 t -93.29 121.64 44.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' B' ' 8' ' ' ARG . 6.9 m-85 -93.68 125.88 38.54 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.096 0.474 . . . . 15.0 111.466 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -104.55 105.31 15.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.282 179.364 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 1.8 m-20 74.59 -44.43 0.55 Allowed 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.881 0.738 . . . . 15.0 111.599 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.01 -10.48 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.932 -0.576 . . . . 15.0 111.874 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -91.91 134.04 29.55 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 110.059 -0.349 . . . . 15.0 110.059 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -67.15 104.06 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.865 2.376 . . . . 15.0 112.956 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' TYR . . . . . 0.487 ' O ' HG23 ' B' ' 52' ' ' ILE . 7.2 m-30 -113.47 160.85 18.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.172 -0.467 . . . . 15.0 109.827 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.63 -163.8 1.3 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.941 0.401 . . . . 15.0 110.844 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' VAL . . . . . 0.413 HG13 ' HB2' ' B' ' 66' ' ' CYS . 11.4 t -121.4 124.88 72.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.927 -0.579 . . . . 15.0 110.001 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 27.4 p -80.77 173.11 12.93 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.11 -0.33 . . . . 15.0 110.11 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.2 -36.64 42.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.029 -0.532 . . . . 15.0 112.348 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.41 ' NZ ' ' SG ' ' B' ' 33' ' ' CYS . 4.8 mttp -60.99 -60.74 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.939 0.348 . . . . 15.0 111.939 -178.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' CYS . . . . . 0.413 ' HB2' HG13 ' B' ' 62' ' ' VAL . 0.0 OUTLIER -74.49 -23.23 58.82 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.994 0.368 . . . . 15.0 111.994 -178.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.14 -47.94 74.37 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.16 0.43 . . . . 15.0 112.16 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -79.37 -29.55 42.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.011 0.374 . . . . 15.0 112.011 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -77.09 -46.88 22.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 15.0 111.88 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.795 -0.621 . . . . 15.0 110.705 -178.519 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ptm . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 110.137 -0.32 . . . . 15.0 110.137 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -157.68 109.91 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.114 0.483 . . . . 15.0 109.934 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.406 ' HB2' ' H ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -144.46 -159.07 0.95 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.517 -0.765 . . . . 15.0 109.928 -179.749 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.406 ' H ' ' HB2' ' A' ' 3' ' ' GLN . 16.3 t70 -42.76 140.0 1.93 Allowed Pre-proline 0 N--CA 1.469 0.479 0 O-C-N 123.885 0.741 . . . . 15.0 111.861 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -81.2 -6.14 44.88 Favored 'Cis proline' 0 C--N 1.348 0.528 0 C-N-CA 124.082 -1.216 . . . . 15.0 113.296 0.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 2' ' ' PHE . 26.1 mp0 -62.7 140.49 58.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.344 -0.389 . . . . 15.0 110.263 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.474 ' HA ' ' OE1' ' A' ' 7' ' ' GLU . 4.2 tp10 -106.25 -15.23 14.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.861 0.319 . . . . 15.0 111.861 -178.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.432 ' HD3' ' O ' ' A' ' 2' ' ' PHE . 6.5 mtm180 66.55 84.74 0.17 Allowed Pre-proline 0 N--CA 1.465 0.304 0 CA-C-O 121.196 0.522 . . . . 15.0 111.108 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.2 171.15 14.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 15.0 112.434 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -100.46 9.45 42.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 15.0 111.388 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -120.66 130.88 54.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.106 -0.497 . . . . 15.0 109.876 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.8 tp -53.19 -50.57 81.65 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 113.467 0.914 . . . . 15.0 113.467 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.6 Cg_endo -54.39 -35.79 85.55 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.29 1.993 . . . . 15.0 113.538 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -83.0 -29.69 28.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.577 0.227 . . . . 15.0 111.07 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.478 HD22 HD13 ' A' ' 52' ' ' ILE . 54.6 tp -65.46 -38.4 89.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.036 0.446 . . . . 15.0 110.03 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.9 m -62.1 -36.98 83.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.778 -0.647 . . . . 15.0 110.321 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -38.62 88.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 15.0 110.661 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -68.59 -32.81 72.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.185 0.517 . . . . 15.0 110.129 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.2 2.02 29.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.656 -0.702 . . . . 15.0 110.807 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 56.3 42.01 28.4 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.968 -0.56 . . . . 15.0 110.794 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -150.59 -173.74 4.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.99 -0.55 . . . . 15.0 110.72 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 p -112.14 173.01 6.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.697 0.284 . . . . 15.0 111.25 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -28.53 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 121.12 0.486 . . . . 15.0 110.666 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.49 49.17 1.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.859 -0.61 . . . . 15.0 109.485 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -168.39 -39.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.963 -178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 tt -63.91 128.1 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 115.795 -0.638 . . . . 15.0 111.247 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.0 mm -117.12 114.42 45.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.05 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -119.52 154.55 33.65 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.804 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -112.76 164.04 13.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.766 0.317 . . . . 15.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 52.5 t -70.19 144.34 51.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.82 -0.627 . . . . 15.0 111.019 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.3 p -76.8 -25.55 15.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.834 -0.621 . . . . 15.0 111.175 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -102.24 -50.17 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.645 0.259 . . . . 15.0 111.674 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 m -80.23 -21.96 42.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.444 -0.344 . . . . 15.0 111.465 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 6.4 mptt 59.98 30.76 20.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.936 -0.574 . . . . 15.0 110.82 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -104.46 141.55 36.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.648 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -70.25 126.65 30.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.703 0.287 . . . . 15.0 110.72 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 mp -76.69 149.12 36.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.802 -0.635 . . . . 15.0 111.295 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.446 ' HG ' ' H ' ' A' ' 39' ' ' ARG . 12.1 tp -97.1 167.87 10.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.605 -0.725 . . . . 15.0 110.149 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 41.2 ttt180 -53.8 -30.09 43.41 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.905 0.482 . . . . 15.0 112.212 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -63.87 -53.96 42.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.608 0.242 . . . . 15.0 111.554 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 1.4 pm0 -72.38 -30.33 64.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.497 -0.319 . . . . 15.0 111.169 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 38' ' ' LEU . 56.1 t -62.63 -39.1 83.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 109.75 -0.463 . . . . 15.0 109.75 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -72.22 -36.25 69.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 15.0 109.93 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -35.42 78.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.325 0.583 . . . . 15.0 109.883 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -66.99 -38.63 86.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.117 -0.947 . . . . 15.0 111.022 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.65 -21.66 30.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.771 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -71.84 -24.87 61.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.956 0.408 . . . . 15.0 110.597 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -116.7 169.7 9.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.396 -0.594 . . . . 15.0 109.396 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -91.24 89.59 7.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.098 0.475 . . . . 15.0 110.811 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.78 172.85 6.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.648 -0.706 . . . . 15.0 109.681 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.1 m -126.31 150.47 48.46 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.42 -0.215 . . . . 15.0 110.42 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.478 HD13 HD22 ' A' ' 15' ' ' LEU . 60.7 mt -80.75 132.15 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.922 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.24 114.93 34.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.96 -0.564 . . . . 15.0 110.33 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -96.65 111.65 23.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.33 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -92.04 108.91 20.28 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.599 -0.889 . . . . 15.0 108.599 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t70 72.43 -70.74 0.15 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.892 0.745 . . . . 15.0 110.911 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.0 22.97 0.19 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.019 -0.61 . . . . 15.0 111.906 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -125.96 133.82 25.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.414 -0.217 . . . . 15.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.21 119.86 6.25 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.503 2.135 . . . . 15.0 112.783 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -119.84 155.03 33.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 15.0 110.0 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.31 174.91 5.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.028 0.442 . . . . 15.0 111.144 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.6 t -101.32 122.06 52.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.608 -0.724 . . . . 15.0 109.315 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.3 p -79.58 -174.88 4.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.392 0.615 . . . . 15.0 111.676 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.404 ' HA ' HD12 ' A' ' 67' ' ' LEU . 13.9 t70 -67.79 -27.23 66.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.941 -1.027 . . . . 15.0 111.192 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 21.5 mtpt -82.49 -51.14 8.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.049 0.452 . . . . 15.0 111.12 -179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.3 m -67.66 -19.48 65.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.002 -0.544 . . . . 15.0 111.327 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 64' ' ' ASP . 0.7 OUTLIER -53.91 -43.15 69.47 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.256 -0.429 . . . . 15.0 111.825 179.669 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 12.6 pttt -79.25 -19.17 51.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 15.0 111.198 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -76.19 -49.95 15.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.103 0.478 . . . . 15.0 110.795 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 . . . . . 0 C--O 1.245 0.819 0 CA-C-O 118.613 -0.708 . . . . 15.0 110.24 -179.492 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 109.923 -0.399 . . . . 15.0 109.923 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.23 88.31 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.262 0.554 . . . . 15.0 110.434 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 0.9 OUTLIER -108.9 -169.65 1.53 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.55 -0.75 . . . . 15.0 109.82 179.648 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ASP . . . . . 0.418 ' HB2' ' HA ' ' B' ' 5' ' ' PRO . 2.7 p-10 -60.91 155.71 51.72 Favored Pre-proline 0 N--CA 1.468 0.46 0 O-C-N 123.04 0.213 . . . . 15.0 111.03 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' B' ' 4' ' ' ASP . 73.2 Cg_endo -74.91 -1.02 17.27 Favored 'Cis proline' 0 C--N 1.353 0.765 0 C-N-CA 124.005 -1.248 . . . . 15.0 113.477 1.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.534 ' HB2' ' O ' ' B' ' 3' ' ' GLN . 26.1 mp0 -64.34 129.13 38.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.294 -0.632 . . . . 15.0 109.294 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -96.25 -7.9 34.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.451 -0.341 . . . . 15.0 110.833 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.519 ' HB3' ' CZ ' ' B' ' 54' ' ' TYR . 0.6 OUTLIER 67.62 79.96 0.22 Allowed Pre-proline 0 C--N 1.332 -0.187 0 O-C-N 123.678 0.611 . . . . 15.0 110.972 179.166 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.556 ' HD3' ' OE1' ' B' ' 18' ' ' GLU . 21.2 Cg_exo -65.68 141.03 64.53 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.397 2.065 . . . . 15.0 111.656 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -85.14 13.99 5.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.03 0.443 . . . . 15.0 110.69 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -129.28 134.16 47.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 15.0 109.852 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 28.3 tp -55.14 -52.55 70.32 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 113.557 0.947 . . . . 15.0 113.557 -178.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.3 Cg_endo -53.67 -34.31 73.31 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.237 1.958 . . . . 15.0 112.862 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -83.34 -34.77 25.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.37 -0.377 . . . . 15.0 110.984 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.82 -37.75 85.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.322 -0.399 . . . . 15.0 110.624 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 45.3 m -62.63 -28.59 70.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.8 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -71.79 -42.19 67.41 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.702 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.556 ' OE1' ' HD3' ' B' ' 9' ' ' PRO . 3.5 mt-10 -66.73 -39.42 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.106 0.479 . . . . 15.0 110.398 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -77.27 -7.53 56.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.848 -0.614 . . . . 15.0 110.473 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 56.69 56.32 5.61 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.632 -0.713 . . . . 15.0 111.344 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.8 t -156.83 -171.11 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.783 -0.644 . . . . 15.0 109.339 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -115.55 174.91 5.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.728 0.299 . . . . 15.0 111.192 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.505 ' HA ' HG22 ' B' ' 26' ' ' ILE . 32.7 pt -73.9 4.65 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.67 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -104.15 -24.7 13.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.038 0.446 . . . . 15.0 110.246 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -107.12 -22.3 12.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.784 -0.644 . . . . 15.0 111.284 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.505 HG22 ' HA ' ' B' ' 23' ' ' ILE . 19.7 tt -65.54 131.54 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.447 0.642 . . . . 15.0 110.993 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 27.7 mm -121.93 121.82 65.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.782 -0.645 . . . . 15.0 110.224 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -125.76 160.12 30.6 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.624 -0.51 . . . . 15.0 109.624 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -122.22 155.63 35.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.53 0.205 . . . . 15.0 110.533 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' CYS . . . . . 0.728 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 45.1 t -68.18 145.16 54.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.097 -0.501 . . . . 15.0 110.933 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.479 HG23 ' HB2' ' B' ' 55' ' ' ARG . 6.7 p -76.92 -32.25 19.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.308 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -85.15 -71.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.122 0.416 . . . . 15.0 112.122 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 p -76.58 -16.1 59.68 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.585 0.231 . . . . 15.0 111.331 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.728 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 32.9 mttp 62.56 35.23 14.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.496 0.665 . . . . 15.0 111.385 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -91.99 146.8 23.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.813 -0.63 . . . . 15.0 109.721 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -72.97 122.41 21.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.713 0.292 . . . . 15.0 110.766 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -81.01 126.14 31.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.097 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.465 ' HG ' ' H ' ' B' ' 39' ' ' ARG . 13.7 tp -89.52 171.34 9.78 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.13 -0.486 . . . . 15.0 109.749 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.465 ' H ' ' HG ' ' B' ' 38' ' ' LEU . 1.8 ttt180 -48.44 -33.9 10.08 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 122.9 0.48 . . . . 15.0 111.518 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -59.67 -42.15 92.24 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.789 -0.641 . . . . 15.0 111.211 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.85 -35.07 26.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.65 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 38' ' ' LEU . 96.0 t -58.16 -42.18 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.073 0.463 . . . . 15.0 110.617 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -70.2 -38.78 75.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.647 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.88 -37.99 89.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.346 0.593 . . . . 15.0 109.884 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -64.22 -39.5 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.346 -0.843 . . . . 15.0 110.725 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.46 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -82.49 -12.86 57.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 15.0 111.739 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -69.49 -29.3 66.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.371 -0.377 . . . . 15.0 110.976 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -117.44 173.94 6.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.161 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -88.1 89.81 8.14 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.983 -0.747 . . . . 15.0 108.983 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.67 167.1 10.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.103 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 19.8 p -119.04 139.91 50.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.933 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.438 HG23 ' O ' ' B' ' 60' ' ' TYR . 19.4 mt -83.97 125.1 40.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.972 0.415 . . . . 15.0 110.657 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -93.03 136.53 24.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.657 -0.701 . . . . 15.0 110.216 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 53.9 m-85 -110.64 111.51 22.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.113 0.482 . . . . 15.0 111.79 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.479 ' HB2' HG23 ' B' ' 31' ' ' VAL . 4.6 tmm_? -94.8 122.44 37.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.617 -0.719 . . . . 15.0 109.126 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 18.3 t70 70.48 -70.64 0.15 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.046 0.841 . . . . 15.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.78 27.24 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.443 -0.663 . . . . 15.0 111.443 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -130.58 144.11 52.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 109.8 -0.445 . . . . 15.0 109.8 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.51 121.06 9.02 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.627 2.218 . . . . 15.0 112.551 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' TYR . . . . . 0.438 ' O ' HG23 ' B' ' 52' ' ' ILE . 29.2 m-85 -124.41 156.28 37.4 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.412 -0.588 . . . . 15.0 109.412 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' B' ' 30' ' ' CYS . . . -128.98 -177.16 4.1 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.813 0.34 . . . . 15.0 110.513 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.42 115.86 50.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.58 -0.896 . . . . 15.0 108.58 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 6.7 p -72.04 169.51 15.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.963 0.411 . . . . 15.0 111.316 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.481 ' HA ' HD12 ' B' ' 67' ' ' LEU . 30.3 t70 -57.58 -23.46 50.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.691 -0.686 . . . . 15.0 111.631 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.45 ' H ' ' HD3' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -78.99 -55.04 5.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.811 -0.631 . . . . 15.0 111.146 -179.355 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 66' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' B' ' 69' ' ' PHE . 24.6 m -74.7 -17.32 60.68 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.045 0.758 . . . . 15.0 113.045 -179.124 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' B' ' 64' ' ' ASP . 10.1 mt -53.62 -37.8 63.4 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.498 0.555 . . . . 15.0 112.498 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -11.68 59.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.33 . . . . 15.0 111.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' B' ' 66' ' ' CYS . 3.8 m-85 -75.34 -49.72 18.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.419 -0.355 . . . . 15.0 111.126 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.815 -179.105 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.454 ' HD3' ' OE1' ' A' ' 18' ' ' GLU . 37.2 Cg_exo . . . . . 0 N--CA 1.463 -0.296 0 CA-C-O 121.473 0.53 . . . . 15.0 112.91 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -95.33 1.69 54.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.366 -0.834 . . . . 15.0 109.894 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 28.9 mmtp -117.91 139.56 50.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.674 -0.694 . . . . 15.0 110.742 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.455 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 25.2 tp -54.7 -54.38 49.83 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 112.863 0.69 . . . . 15.0 112.863 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 12.3 Cg_endo -56.02 -44.54 46.06 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.05 1.833 . . . . 15.0 112.638 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -68.79 -33.92 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 15.0 111.126 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.4 tp -60.66 -38.28 84.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.193 0.521 . . . . 15.0 109.695 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.0 m -70.15 -33.27 71.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.455 -0.793 . . . . 15.0 110.359 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -64.68 -47.5 78.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.288 -0.415 . . . . 15.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.454 ' OE1' ' HD3' ' A' ' 9' ' ' PRO . 8.7 mt-10 -68.79 -31.46 70.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.412 -0.358 . . . . 15.0 110.99 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.23 -2.26 44.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 15.0 110.723 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 58.44 44.27 18.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.913 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.4 t -145.65 -174.41 4.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -111.95 166.56 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.447 -0.342 . . . . 15.0 110.469 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.415 ' HA ' HG22 ' A' ' 26' ' ' ILE . 18.1 mt -70.4 -13.8 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 15.0 110.093 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -87.22 -13.42 43.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 15.0 111.023 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -108.84 -38.39 5.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.857 0.317 . . . . 15.0 111.857 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.415 HG22 ' HA ' ' A' ' 23' ' ' ILE . 15.5 tt -66.63 126.05 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.357 0.599 . . . . 15.0 111.363 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.0 mm -113.42 122.03 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.991 -0.549 . . . . 15.0 109.657 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -102.35 159.95 14.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.756 0.312 . . . . 15.0 110.454 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -113.7 156.57 23.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.203 -0.453 . . . . 15.0 109.981 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 53.9 t -72.34 144.8 48.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.209 0.528 . . . . 15.0 110.625 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 p -82.18 -23.93 9.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.867 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -95.25 -61.33 1.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.627 0.603 . . . . 15.0 112.627 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.461 ' HG ' ' HG ' ' A' ' 66' ' ' CYS . 0.8 OUTLIER -90.43 -10.51 43.53 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.801 -0.359 . . . . 15.0 111.656 -179.119 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 5.1 mptt 61.78 32.7 18.13 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.006 -0.543 . . . . 15.0 111.606 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.446 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 34.7 mm-40 -89.35 152.55 21.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.627 -0.508 . . . . 15.0 109.627 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -76.52 125.24 28.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.045 -0.354 . . . . 15.0 110.045 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mp -82.34 120.48 25.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.751 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -61.07 134.85 57.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.221 -0.659 . . . . 15.0 109.221 178.607 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -48.09 -39.04 19.08 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.405 0.44 . . . . 15.0 112.071 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -58.8 -39.99 82.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.05 0.452 . . . . 15.0 111.202 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -83.48 -22.4 32.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.845 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 38' ' ' LEU . 69.9 t -61.69 -33.67 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.142 0.496 . . . . 15.0 110.086 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -64.4 -23.65 67.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -67.01 -23.7 65.95 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.968 0.413 . . . . 15.0 110.194 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.77 -39.79 95.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.701 -0.682 . . . . 15.0 109.872 178.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.85 -28.94 24.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.346 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -67.23 -43.43 82.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.628 -0.715 . . . . 15.0 110.338 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -103.07 -173.95 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.043 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -95.82 95.61 8.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 15.0 110.546 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.31 142.1 33.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.405 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.6 p -108.59 156.86 19.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.108 -0.496 . . . . 15.0 109.891 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.4 mt -79.45 122.85 35.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.043 0.449 . . . . 15.0 110.256 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.1 t -91.07 120.29 39.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.623 -0.717 . . . . 15.0 109.983 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.04 109.11 20.88 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.945 0.402 . . . . 15.0 110.298 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.408 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 4.3 tmm_? -92.69 114.28 26.79 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.237 -0.653 . . . . 15.0 109.237 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.2 t70 70.99 -68.02 0.23 Allowed 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.989 0.806 . . . . 15.0 111.05 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.8 23.12 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.234 -0.507 . . . . 15.0 112.307 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -132.46 147.68 66.61 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.193 -0.299 . . . . 15.0 110.193 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -75.1 118.51 5.27 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.544 2.163 . . . . 15.0 112.738 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CE1' ' HB3' ' A' ' 55' ' ' ARG . 67.6 m-85 -120.55 164.74 16.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.843 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -127.37 170.36 12.6 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.388 -0.369 . . . . 15.0 110.43 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.6 t -101.99 119.29 50.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.137 -0.69 . . . . 15.0 109.137 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 22.9 p -73.09 171.38 13.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.153 0.502 . . . . 15.0 111.385 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.15 -23.13 67.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.524 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.92 -57.89 3.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.686 -0.688 . . . . 15.0 110.548 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.461 ' HG ' ' HG ' ' A' ' 33' ' ' CYS . 34.9 m -73.27 -15.39 61.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.587 -0.733 . . . . 15.0 112.738 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 112.486 0.551 . . . . 15.0 112.486 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 . . . . . 0 C--O 1.234 0.24 0 N-CA-C 111.593 0.22 . . . . 15.0 111.593 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.464 ' HD3' ' OE1' ' B' ' 18' ' ' GLU . 59.4 Cg_endo -74.84 176.0 10.43 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.546 2.164 . . . . 15.0 111.925 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -99.89 2.34 43.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.9 0.381 . . . . 15.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 49.8 mttm -108.85 127.82 54.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.201 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.521 ' HA ' HD11 ' B' ' 52' ' ' ILE . 32.8 tp -54.38 -52.63 67.57 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 113.286 0.847 . . . . 15.0 113.286 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 8.8 Cg_endo -51.52 -45.25 38.82 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.249 1.966 . . . . 15.0 112.756 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -68.89 -37.41 79.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.999 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.52 -37.72 87.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.973 0.416 . . . . 15.0 110.174 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m -64.03 -42.74 97.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.061 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.6 m -64.51 -38.75 92.1 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.09 -0.505 . . . . 15.0 110.67 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.464 ' OE1' ' HD3' ' B' ' 9' ' ' PRO . 23.2 tt0 -69.19 -37.64 78.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.505 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.48 ' HB3' HG22 ' B' ' 21' ' ' THR . 0.5 OUTLIER -78.08 -3.51 42.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.704 179.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 60.97 41.18 14.46 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.713 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.48 HG22 ' HB3' ' B' ' 19' ' ' LEU . 14.0 t -142.51 -173.63 3.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.779 -0.646 . . . . 15.0 109.977 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 58.2 p -111.96 169.79 8.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.778 0.323 . . . . 15.0 110.915 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 12.6 mt -69.62 -17.35 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.329 0.585 . . . . 15.0 110.364 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -82.53 -29.23 30.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.718 -0.674 . . . . 15.0 110.826 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -98.0 -25.32 15.01 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.706 0.632 . . . . 15.0 112.706 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.6 tt -61.05 138.11 22.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.313 0.578 . . . . 15.0 111.169 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mm -110.23 120.99 62.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.353 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.542 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.1 mp -119.4 148.23 43.46 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -114.98 151.79 33.53 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.324 -0.25 . . . . 15.0 110.324 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 50.7 t -76.61 138.34 40.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.09 0.471 . . . . 15.0 111.145 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' B' ' 60' ' ' TYR . 11.6 p -75.45 -18.86 15.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.689 -0.687 . . . . 15.0 110.54 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -104.49 -60.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.281 -0.418 . . . . 15.0 111.393 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -67.89 -24.41 65.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.429 -0.35 . . . . 15.0 111.284 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm 67.15 10.47 7.73 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.211 0.604 . . . . 15.0 111.189 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -98.04 170.94 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.709 -0.478 . . . . 15.0 109.709 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -84.93 131.01 34.55 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.86 0.362 . . . . 15.0 110.23 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mp -68.71 144.79 54.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.685 -0.689 . . . . 15.0 111.465 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.404 ' O ' HG23 ' B' ' 42' ' ' VAL . 15.4 mt -75.87 158.35 32.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.478 -0.783 . . . . 15.0 109.525 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -56.36 -37.34 69.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.991 0.424 . . . . 15.0 110.66 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -68.83 -34.92 76.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.778 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -70.88 -37.11 73.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.744 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 38' ' ' LEU . 59.8 t -64.17 -36.04 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.066 0.46 . . . . 15.0 109.827 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -65.77 -38.59 89.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.372 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -66.44 -42.15 88.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.847 -0.615 . . . . 15.0 109.885 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.59 -36.52 78.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.679 -0.691 . . . . 15.0 110.862 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.467 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -81.04 -17.94 48.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 15.0 111.238 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -84.25 -32.53 24.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.026 0.441 . . . . 15.0 110.289 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -86.52 160.1 19.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.021 -0.536 . . . . 15.0 110.264 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -83.74 45.88 1.11 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.866 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.96 162.15 13.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.58 . . . . 15.0 110.976 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 37.5 m -119.9 161.99 19.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.749 -0.66 . . . . 15.0 109.415 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.521 HD11 ' HA ' ' B' ' 12' ' ' LEU . 39.4 mt -80.12 126.21 39.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.825 0.345 . . . . 15.0 110.874 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.25 119.91 39.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.366 0.603 . . . . 15.0 109.938 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -93.72 110.51 22.14 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.694 -0.685 . . . . 15.0 110.246 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.474 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 3.3 mmm180 -122.77 130.61 53.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.071 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 9.5 t70 73.72 -26.67 0.19 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.727 0.642 . . . . 15.0 111.408 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' B' ' 55' ' ' ARG . . . 131.53 -6.99 5.59 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 111.627 -0.589 . . . . 15.0 111.627 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -103.34 137.09 19.16 Favored Pre-proline 0 C--N 1.32 -0.699 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.96 97.1 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.294 1.996 . . . . 15.0 111.576 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . 0.426 ' HB3' ' HB ' ' B' ' 31' ' ' VAL . 40.5 m-85 -96.33 156.62 16.26 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.066 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.542 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -130.94 -175.88 3.82 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.617 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.1 t -124.01 116.56 48.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.114 -0.698 . . . . 15.0 109.114 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.53 169.85 17.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.645 0.26 . . . . 15.0 110.743 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.77 -26.78 58.32 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.136 -0.484 . . . . 15.0 111.522 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 2.0 mppt? -62.86 -57.87 9.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.989 -0.55 . . . . 15.0 110.902 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -31.06 61.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.978 0.418 . . . . 15.0 111.123 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.8 mt -57.99 -34.68 70.24 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 112.892 0.701 . . . . 15.0 112.892 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 52.1 pttt -73.09 -20.95 60.85 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.678 -0.409 . . . . 15.0 111.635 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -77.72 -26.35 49.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.717 0.294 . . . . 15.0 111.388 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.669 -0.682 . . . . 15.0 111.003 -178.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo . . . . . 0 N--CA 1.465 -0.205 0 CA-C-O 121.049 0.354 . . . . 15.0 112.083 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -96.34 14.42 24.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.667 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -119.24 128.75 54.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 15.0 110.512 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.52 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 44.0 tp -54.1 -51.06 80.71 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 113.361 0.874 . . . . 15.0 113.361 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.6 Cg_endo -54.07 -34.97 79.99 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.134 1.889 . . . . 15.0 113.092 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -83.27 -30.41 27.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 15.0 110.957 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.42 HD22 HD13 ' A' ' 52' ' ' ILE . 41.6 tp -64.92 -34.1 77.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 15.0 110.575 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.1 m -56.65 -35.92 68.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.686 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -33.99 75.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.912 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -67.18 -42.26 84.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.054 0.454 . . . . 15.0 110.313 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mp -81.92 -4.64 57.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.898 -0.592 . . . . 15.0 111.575 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 59.79 51.07 6.4 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.184 0.516 . . . . 15.0 110.275 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.496 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 14.6 t -152.06 179.64 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.835 -0.621 . . . . 15.0 110.273 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.9 p -106.13 175.68 5.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.716 0.293 . . . . 15.0 110.508 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mt -73.16 -9.8 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.421 0.629 . . . . 15.0 110.614 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -99.11 -2.88 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.598 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.496 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 11.5 t70 -132.6 -1.6 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.458 -0.337 . . . . 15.0 111.754 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 tt -75.72 111.38 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.648 0.737 . . . . 15.0 111.022 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.7 mm -89.65 90.58 3.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.654 -0.703 . . . . 15.0 110.137 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.662 HD23 ' HB2' ' A' ' 61' ' ' ALA . 5.0 tp -101.92 143.44 31.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.146 -0.479 . . . . 15.0 109.972 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -105.92 155.16 19.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.375 -0.375 . . . . 15.0 111.119 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 28.9 t -70.27 143.94 51.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.865 -0.607 . . . . 15.0 111.238 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.16 -34.02 67.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.782 -0.645 . . . . 15.0 111.944 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.619 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 41.3 m-85 -105.71 -48.37 3.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.411 0.523 . . . . 15.0 112.411 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' HB2' ' HG2' ' A' ' 35' ' ' GLN . 3.3 m -75.59 -26.38 57.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.698 0.285 . . . . 15.0 110.856 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 54.2 mttp 63.01 21.08 12.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.649 -0.705 . . . . 15.0 111.005 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.418 ' HG2' ' HB2' ' A' ' 33' ' ' CYS . 3.9 pt20 -91.17 150.79 21.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.191 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -72.94 121.33 19.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.164 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.78 136.69 45.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.783 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 42' ' ' VAL . 21.2 mt -77.27 158.66 30.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.622 -0.51 . . . . 15.0 109.622 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -59.12 -18.35 34.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.047 -0.524 . . . . 15.0 112.176 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.523 ' HB3' ' OE2' ' A' ' 41' ' ' GLU . 9.8 ttp180 -72.17 -51.52 20.87 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.956 0.408 . . . . 15.0 110.361 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.523 ' OE2' ' HB3' ' A' ' 40' ' ' ARG . 1.1 pm0 -68.98 -33.38 73.59 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 38' ' ' LEU . 79.9 t -62.64 -37.92 80.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 15.0 110.179 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -62.65 -43.03 99.84 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.281 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.92 -35.57 81.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.249 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -69.43 -33.49 73.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.721 -0.672 . . . . 15.0 110.633 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.41 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -80.05 -32.24 39.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.941 0.401 . . . . 15.0 111.281 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -73.14 -52.41 14.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.657 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -81.51 135.66 35.6 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.604 -0.517 . . . . 15.0 109.604 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -74.94 97.39 3.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.203 0.525 . . . . 15.0 110.513 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.7 mt -115.83 -175.46 2.73 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.617 -0.719 . . . . 15.0 109.634 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.94 135.22 54.41 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.416 -0.356 . . . . 15.0 110.158 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.439 HD11 ' HA ' ' A' ' 12' ' ' LEU . 56.9 mt -80.35 127.17 39.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.197 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.2 m -92.14 119.06 38.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.217 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -93.68 109.08 20.74 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 110.04 -0.356 . . . . 15.0 110.04 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.48 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -83.43 105.13 14.12 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.637 -0.875 . . . . 15.0 108.637 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 20.6 t70 75.92 -46.94 0.56 Allowed 'General case' 0 N--CA 1.47 0.543 0 O-C-N 124.18 0.925 . . . . 15.0 110.666 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.58 -15.31 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 116.009 -0.542 . . . . 15.0 111.889 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -88.71 140.49 29.64 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 120.651 0.262 . . . . 15.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -70.99 109.44 2.55 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.521 2.147 . . . . 15.0 111.901 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -111.83 148.01 34.51 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.18 -0.464 . . . . 15.0 110.219 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.662 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -106.16 165.94 10.87 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.121 -0.491 . . . . 15.0 110.64 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -106.82 112.13 38.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.087 -0.708 . . . . 15.0 109.087 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.543 ' SG ' ' HB3' ' A' ' 65' ' ' LYS . 28.7 p -69.18 169.65 11.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.86 0.362 . . . . 15.0 110.461 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.35 -21.75 65.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.244 0.545 . . . . 15.0 110.342 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.543 ' HB3' ' SG ' ' A' ' 63' ' ' CYS . 0.3 OUTLIER -76.9 -57.47 3.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.208 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 85.2 m -69.73 -18.71 63.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.893 -0.594 . . . . 15.0 111.456 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 121.271 0.558 . . . . 15.0 110.493 178.73 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.548 0 CA-C-O 121.078 0.466 . . . . 15.0 111.633 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.9 -166.03 0.36 Allowed 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.878 2.385 . . . . 15.0 112.059 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -126.66 0.52 6.79 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 122.04 -0.412 . . . . 15.0 111.578 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -124.15 139.46 53.91 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.163 -0.31 . . . . 15.0 110.163 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 26.2 tp -52.19 -52.69 60.12 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 113.018 0.747 . . . . 15.0 113.018 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 7.7 Cg_endo -51.27 -34.08 47.83 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.683 2.255 . . . . 15.0 112.987 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -79.83 -31.45 40.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 15.0 110.98 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.407 HD22 HD13 ' B' ' 52' ' ' ILE . 57.8 tp -68.47 -38.33 80.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.85 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . 0.487 ' SG ' HG12 ' B' ' 23' ' ' ILE . 64.4 m -59.04 -39.88 83.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.289 -0.414 . . . . 15.0 110.767 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -35.33 80.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 15.0 111.153 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.51 -30.74 70.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.626 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -92.73 1.52 57.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.544 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 56.5 47.89 17.82 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.826 -0.625 . . . . 15.0 111.198 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 15.2 t -150.29 179.42 8.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.007 -0.542 . . . . 15.0 109.846 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 34.6 p -103.26 -179.69 4.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.814 0.34 . . . . 15.0 110.735 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.487 HG12 ' SG ' ' B' ' 16' ' ' CYS . 4.9 mt -81.17 -5.37 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.33 0.586 . . . . 15.0 110.568 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -83.79 -20.96 32.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.711 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -148.2 87.89 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.725 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.1 tt -139.01 140.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.987 -0.551 . . . . 15.0 110.285 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 39.0 mm -80.3 94.6 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.924 -0.398 . . . . 15.0 109.924 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -127.8 133.37 49.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.988 -0.551 . . . . 15.0 110.594 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -127.47 170.18 12.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.351 -0.386 . . . . 15.0 110.792 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 43.9 t -80.03 144.58 33.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.98 -0.554 . . . . 15.0 110.736 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 p -76.26 -27.86 17.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.622 -0.717 . . . . 15.0 111.856 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -106.77 -50.87 3.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.206 0.447 . . . . 15.0 112.206 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -76.84 -23.43 52.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.751 -0.204 . . . . 15.0 111.195 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.9 tptp 65.79 16.79 10.64 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.549 0.69 . . . . 15.0 110.539 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' B' ' 35' ' ' GLN . 5.8 tp-100 -86.57 136.89 32.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.69 -0.686 . . . . 15.0 109.948 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -69.35 124.52 24.08 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.25 -0.648 . . . . 15.0 109.25 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -70.97 139.44 50.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.202 0.525 . . . . 15.0 111.191 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.475 ' O ' HG23 ' B' ' 42' ' ' VAL . 13.1 mt -83.59 162.55 20.79 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.58 -0.896 . . . . 15.0 108.58 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -56.77 -32.44 65.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.733 0.302 . . . . 15.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -62.52 -36.98 84.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.992 -0.549 . . . . 15.0 110.663 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -82.7 -39.19 22.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.324 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 38' ' ' LEU . 60.0 t -64.71 -35.33 74.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.366 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -34.53 75.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.895 -0.593 . . . . 15.0 111.193 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -70.4 -39.81 74.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.194 0.521 . . . . 15.0 110.006 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -65.67 -33.37 75.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.519 -0.764 . . . . 15.0 110.662 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.456 ' HB2' HG21 ' B' ' 23' ' ' ILE . . . -77.21 -30.04 54.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.313 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -80.81 -54.15 5.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.09 -0.505 . . . . 15.0 110.746 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -88.19 119.6 28.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.193 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.03 105.88 0.26 Allowed 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.876 -0.602 . . . . 15.0 111.647 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.8 mt -132.48 160.38 36.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.669 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.79 139.6 33.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.993 0.425 . . . . 15.0 111.42 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.457 HD11 ' HA ' ' B' ' 12' ' ' LEU . 53.0 mt -81.88 135.9 24.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.727 -0.669 . . . . 15.0 110.203 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 39.8 t -100.45 114.0 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.24 -0.437 . . . . 15.0 109.932 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -99.3 110.38 22.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.795 0.331 . . . . 15.0 110.99 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -89.07 108.43 19.59 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.116 -0.698 . . . . 15.0 109.116 179.388 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 9.7 m-20 73.52 -72.2 0.12 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 124.105 0.878 . . . . 15.0 110.282 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.37 21.51 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.166 -0.54 . . . . 15.0 111.914 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.548 ' HB3' ' CE2' ' B' ' 60' ' ' TYR . 23.3 t30 -117.27 136.0 23.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.2 -0.296 . . . . 15.0 110.2 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 7.0 Cg_exo -72.71 117.52 5.16 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.784 2.323 . . . . 15.0 112.996 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' B' ' 58' ' ' ASN . 65.6 m-85 -127.92 145.31 51.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.141 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.61 176.31 5.17 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.115 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 14.8 t -96.93 112.1 28.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.83 -0.804 . . . . 15.0 108.83 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' B' ' 65' ' ' LYS . 29.2 p -72.23 171.55 11.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.084 0.469 . . . . 15.0 111.142 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -61.22 -26.63 67.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.462 -0.79 . . . . 15.0 110.177 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.435 ' HB2' ' SG ' ' B' ' 63' ' ' CYS . 4.8 mtpm? -73.11 -52.55 13.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.872 -0.604 . . . . 15.0 110.223 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 72.8 m -66.81 -32.43 73.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 15.0 111.025 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.0 -30.98 72.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.249 0.547 . . . . 15.0 109.898 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -80.68 -23.95 39.25 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.487 -0.779 . . . . 15.0 110.185 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -77.34 -49.34 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 15.0 111.18 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.588 -0.72 . . . . 15.0 110.995 -178.659 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo . . . . . 0 CA--C 1.532 0.412 0 CA-C-O 120.773 0.239 . . . . 15.0 111.897 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -122.33 -46.01 2.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.851 0.315 . . . . 15.0 111.851 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -106.9 163.9 12.57 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.174 0.511 . . . . 15.0 111.991 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.647 ' HA ' HD11 ' A' ' 52' ' ' ILE . 35.6 tp -60.4 -49.32 90.83 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.181 -0.918 . . . . 15.0 113.188 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.5 Cg_endo -50.79 -36.53 52.18 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.276 1.984 . . . . 15.0 112.413 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.594 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 9.0 mt-30 -73.12 -44.93 59.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.48 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.2 tp -57.54 -35.45 70.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.7 -0.682 . . . . 15.0 111.287 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.545 ' SG ' HG12 ' A' ' 23' ' ' ILE . 48.2 m -60.59 -41.14 94.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.039 0.447 . . . . 15.0 110.161 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.5 m -70.65 -40.64 72.91 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.988 -0.551 . . . . 15.0 110.755 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 17.6 mm-40 -62.85 -33.62 75.63 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.167 0.508 . . . . 15.0 110.083 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -85.9 0.22 53.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.683 -0.69 . . . . 15.0 110.982 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 58.33 46.79 14.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.068 -0.514 . . . . 15.0 111.222 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 t -151.74 -171.19 3.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.123 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -113.49 176.12 5.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.774 0.321 . . . . 15.0 110.511 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.545 HG12 ' SG ' ' A' ' 16' ' ' CYS . 4.4 mt -76.55 -3.7 5.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.313 0.578 . . . . 15.0 110.711 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -96.27 -19.43 19.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.225 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -128.95 20.25 5.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.102 0.477 . . . . 15.0 111.292 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 tt -82.59 131.91 32.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.255 0.55 . . . . 15.0 110.654 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -100.57 115.9 42.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.271 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tp -129.37 151.63 49.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.181 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -125.01 159.81 30.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.618 0.247 . . . . 15.0 110.523 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.4 t -72.25 143.99 48.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.102 0.477 . . . . 15.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -77.42 -23.4 14.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.698 -0.683 . . . . 15.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -107.12 -53.84 2.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.811 0.338 . . . . 15.0 111.901 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.6 m -78.44 -20.8 50.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.242 -0.435 . . . . 15.0 111.976 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 tptp 64.63 13.97 8.68 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.785 0.802 . . . . 15.0 109.981 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -79.07 141.8 37.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.437 -0.801 . . . . 15.0 109.964 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -72.31 119.0 15.89 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.915 -0.402 . . . . 15.0 109.915 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.439 ' HG ' ' HG3' ' A' ' 41' ' ' GLU . 7.5 mp -73.21 129.12 37.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.721 -0.672 . . . . 15.0 110.921 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.509 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 65.8 mt -82.46 170.16 15.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.974 -0.557 . . . . 15.0 109.977 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -61.58 -20.23 63.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.537 -0.301 . . . . 15.0 111.683 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HB3' ' OE1' ' A' ' 41' ' ' GLU . 6.8 ttp180 -67.21 -53.35 31.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.924 0.393 . . . . 15.0 110.347 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 1.2 pm0 -69.27 -29.84 67.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.435 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 38' ' ' LEU . 59.3 t -63.19 -42.8 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.2 -0.667 . . . . 15.0 109.2 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -68.65 -37.41 79.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.91 -0.586 . . . . 15.0 109.754 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -34.67 78.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.333 0.587 . . . . 15.0 109.696 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -69.69 -47.83 61.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.603 -0.726 . . . . 15.0 109.621 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.53 -19.53 65.31 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.861 -0.609 . . . . 15.0 111.471 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.23 -13.71 61.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.116 0.484 . . . . 15.0 110.656 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 61.1 mtt85 -126.28 -179.83 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.0 -0.545 . . . . 15.0 109.876 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.83 70.13 0.71 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.195 0.521 . . . . 15.0 110.277 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.26 159.87 14.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.562 -0.744 . . . . 15.0 110.62 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.9 p -99.97 146.91 26.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.08 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.647 HD11 ' HA ' ' A' ' 12' ' ' LEU . 76.0 mt -81.12 137.78 20.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.144 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 t -99.99 111.14 28.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.929 0.395 . . . . 15.0 110.088 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -96.8 109.05 21.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.385 -0.371 . . . . 15.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.4 114.37 28.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.066 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 71.3 -7.44 1.17 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.857 0.723 . . . . 15.0 111.964 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.79 -8.46 10.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.801 -0.714 . . . . 15.0 112.254 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.463 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 5.3 t30 -86.6 141.38 34.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.694 -0.484 . . . . 15.0 109.694 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 5.9 Cg_exo -75.2 96.48 1.03 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.558 2.172 . . . . 15.0 112.332 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -112.13 161.61 16.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.239 0.542 . . . . 15.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.56 -178.23 5.98 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.722 -0.672 . . . . 15.0 109.818 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 m -99.05 123.24 51.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.504 -0.554 . . . . 15.0 109.504 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.2 p -74.73 177.67 6.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.09 0.471 . . . . 15.0 110.613 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.19 -24.16 64.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.794 -0.639 . . . . 15.0 110.05 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -78.88 -57.68 3.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.348 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 84.1 m -56.9 -37.67 71.73 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.662 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.11 0.481 . . . . 15.0 111.129 179.341 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.464 0.253 0 CA-C-O 120.829 0.347 . . . . 15.0 111.285 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.61 177.32 8.87 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.509 2.139 . . . . 15.0 111.417 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -107.65 10.5 29.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.821 0.343 . . . . 15.0 110.93 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' B' ' 11' ' ' LYS . 69.3 mmtt -125.08 129.75 50.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 15.0 110.069 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 53.4 tp -52.05 -52.62 60.22 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 114.099 1.148 . . . . 15.0 114.099 -177.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 10.3 Cg_endo -52.46 -35.97 68.05 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.262 1.975 . . . . 15.0 112.951 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -79.94 -30.62 39.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.823 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.13 -35.53 79.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.117 0.484 . . . . 15.0 110.241 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . 0.44 ' SG ' HG12 ' B' ' 23' ' ' ILE . 57.4 m -61.15 -41.67 97.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.66 -0.7 . . . . 15.0 110.788 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -39.15 92.51 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.374 -0.375 . . . . 15.0 110.951 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.74 -40.84 92.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.743 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.5 -7.98 57.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.209 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 65.71 37.76 5.61 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.555 -0.748 . . . . 15.0 111.827 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -143.92 -174.05 4.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.297 -0.41 . . . . 15.0 110.209 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 49.0 p -114.7 172.74 6.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.949 0.404 . . . . 15.0 111.757 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.478 ' HA ' HG22 ' B' ' 26' ' ' ILE . 9.4 mt -71.68 -5.46 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.029 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -97.6 -2.86 40.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.174 -0.467 . . . . 15.0 110.804 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -128.14 -34.92 2.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.769 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.478 HG22 ' HA ' ' B' ' 23' ' ' ILE . 20.3 tt -62.71 127.14 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 121.355 0.598 . . . . 15.0 111.706 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 49.9 mm -114.49 121.15 66.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.551 . . . . 15.0 109.664 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 mp -112.96 160.68 17.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.311 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -110.07 156.47 20.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.645 -0.252 . . . . 15.0 110.506 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . 0.582 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 52.5 t -72.15 144.09 48.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.077 0.465 . . . . 15.0 109.898 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.7 p -80.14 -22.96 11.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.169 -0.469 . . . . 15.0 111.083 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.407 ' HB2' ' SG ' ' B' ' 66' ' ' CYS . 61.1 m-85 -106.44 -49.48 3.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.896 -0.322 . . . . 15.0 111.524 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 m -81.99 -22.69 36.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.916 0.389 . . . . 15.0 110.496 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.582 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 5.7 mptt 62.59 20.36 11.94 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.405 -0.816 . . . . 15.0 111.302 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -92.12 156.65 17.21 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.542 -0.54 . . . . 15.0 109.542 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -74.68 126.74 31.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.999 0.428 . . . . 15.0 111.163 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -85.01 129.58 34.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.407 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.527 ' O ' HG23 ' B' ' 42' ' ' VAL . 68.6 mt -76.96 156.81 31.69 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.347 -0.612 . . . . 15.0 109.347 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -52.43 -29.33 23.91 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.156 0.285 . . . . 15.0 111.177 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -59.78 -49.04 79.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.389 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.411 ' H ' ' HG2' ' B' ' 41' ' ' GLU . 0.0 OUTLIER -71.3 -32.23 68.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.126 0.489 . . . . 15.0 109.785 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 38' ' ' LEU . 48.4 t -64.97 -34.88 73.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.68 -0.691 . . . . 15.0 110.491 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -66.8 -37.16 84.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.151 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -67.39 -31.11 71.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 15.0 109.872 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -62.45 -34.9 77.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.621 -0.718 . . . . 15.0 109.847 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.09 -24.29 24.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.651 -0.704 . . . . 15.0 110.7 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -74.6 -42.2 59.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.477 -0.783 . . . . 15.0 110.689 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -100.26 162.8 12.73 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.02 -0.536 . . . . 15.0 109.755 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -81.85 104.44 12.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.943 0.401 . . . . 15.0 110.462 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.8 mt -134.5 170.57 15.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.808 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.06 152.88 46.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.749 -0.66 . . . . 15.0 109.65 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 53.8 mt -80.37 128.77 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.072 0.463 . . . . 15.0 110.621 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.51 131.91 40.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.689 -0.687 . . . . 15.0 109.33 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -111.44 115.34 29.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.225 0.536 . . . . 15.0 111.542 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 6.1 tmm_? -103.39 113.28 26.64 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.696 -0.853 . . . . 15.0 108.696 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 0.7 OUTLIER 70.94 -77.53 0.05 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.92 0.762 . . . . 15.0 110.675 -179.524 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.12 23.77 0.28 Allowed Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.676 -0.57 . . . . 15.0 111.676 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -126.2 138.68 32.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.38 0.133 . . . . 15.0 110.779 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -74.78 117.6 4.99 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.654 2.236 . . . . 15.0 111.757 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -115.24 171.38 7.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.206 -0.452 . . . . 15.0 110.115 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -128.64 -179.55 5.12 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.905 -0.589 . . . . 15.0 110.368 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 t -116.0 122.85 70.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.816 -0.629 . . . . 15.0 109.38 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 23.1 p -77.18 175.5 9.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.974 0.416 . . . . 15.0 111.112 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.03 -26.45 67.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.952 -0.567 . . . . 15.0 111.241 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -71.94 -59.08 2.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.013 -0.54 . . . . 15.0 111.33 -179.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 3.2 m -73.2 -22.71 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.578 0.584 . . . . 15.0 112.578 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 0.5 OUTLIER -50.62 -48.06 58.16 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.262 0.468 . . . . 15.0 112.262 -178.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.41 ' HG2' ' H ' ' B' ' 68' ' ' LYS . 26.5 pttt -79.99 -23.34 41.63 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.946 0.35 . . . . 15.0 111.946 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -77.35 -44.12 30.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.926 0.394 . . . . 15.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.314 -0.85 . . . . 15.0 111.076 -179.033 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.41 ' CD ' ' HG3' ' A' ' 18' ' ' GLU . 25.4 Cg_exo . . . . . 0 N--CA 1.465 -0.18 0 CA-C-O 121.082 0.367 . . . . 15.0 112.055 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -96.85 1.37 50.53 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.537 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -118.5 136.17 53.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.463 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.544 HD21 HG13 ' A' ' 42' ' ' VAL . 14.3 tp -55.36 -50.49 86.44 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 113.788 1.032 . . . . 15.0 113.788 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.1 Cg_endo -54.74 -43.13 62.08 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.132 1.888 . . . . 15.0 113.088 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -72.58 -30.47 64.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 15.0 110.772 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.488 HD23 HD11 ' A' ' 26' ' ' ILE . 31.5 tp -64.82 -34.18 77.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.031 0.443 . . . . 15.0 109.893 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.3 m -60.99 -39.77 90.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.168 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -64.77 -35.47 81.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.506 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' HG3' ' CD ' ' A' ' 9' ' ' PRO . 6.0 mm-40 -68.14 -36.59 79.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 15.0 110.303 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.4 mt -81.38 -6.81 59.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.991 -0.549 . . . . 15.0 110.647 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 63.1 40.37 9.11 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.768 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -145.42 -172.71 3.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.845 -0.616 . . . . 15.0 109.733 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.2 p -106.42 175.11 5.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.737 0.303 . . . . 15.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.415 ' H ' HG13 ' A' ' 23' ' ' ILE . 2.1 mt -72.29 1.39 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.132 0.491 . . . . 15.0 111.221 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -100.47 -7.98 23.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.071 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -123.4 -12.5 7.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.982 0.364 . . . . 15.0 111.982 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.488 HD11 HD23 ' A' ' 15' ' ' LEU . 10.0 tt -68.79 118.35 12.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.521 . . . . 15.0 110.974 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.6 mm -110.75 118.09 56.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.936 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -124.31 160.78 27.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.982 -0.553 . . . . 15.0 109.621 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -115.59 155.64 27.25 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.264 -0.174 . . . . 15.0 110.823 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 50.6 t -67.3 139.97 57.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 15.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.445 HG11 HG21 ' A' ' 53' ' ' VAL . 7.2 p -72.17 -31.21 38.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.631 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -95.62 -48.4 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.037 0.384 . . . . 15.0 112.037 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.2 m -83.09 -21.56 33.66 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.184 0.439 . . . . 15.0 112.184 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 4.4 mptt 58.65 45.13 16.43 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.578 0.704 . . . . 15.0 111.008 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -122.49 139.68 53.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.42 -0.809 . . . . 15.0 109.398 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -65.68 127.54 32.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.009 0.433 . . . . 15.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mp -83.33 142.83 30.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.508 -0.769 . . . . 15.0 110.909 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.438 ' O ' HG23 ' A' ' 42' ' ' VAL . 85.3 mt -85.29 163.92 18.33 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.003 -0.739 . . . . 15.0 109.003 178.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -60.18 -19.07 52.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.7 0.286 . . . . 15.0 111.228 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -61.73 -50.22 73.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.84 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -76.62 -27.98 55.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.592 -179.488 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.544 HG13 HD21 ' A' ' 12' ' ' LEU . 76.8 t -60.59 -40.43 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.035 -0.53 . . . . 15.0 110.374 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -68.79 -32.78 72.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.392 . . . . 15.0 110.57 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' OD1' ' HD2' ' A' ' 48' ' ' ARG . 4.5 t70 -67.86 -40.04 83.69 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.426 -0.583 . . . . 15.0 109.426 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -62.43 -34.09 76.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.167 -0.924 . . . . 15.0 110.472 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.03 -25.99 31.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.993 -0.549 . . . . 15.0 110.846 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -73.16 -54.79 7.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.09 -0.504 . . . . 15.0 109.818 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.404 ' HD2' ' OD1' ' A' ' 44' ' ' ASP . 33.6 mtt85 -82.99 162.94 21.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.823 -0.626 . . . . 15.0 109.7 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -91.98 103.23 15.77 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.657 -0.417 . . . . 15.0 110.744 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.0 mt -130.27 175.73 8.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.046 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.9 p -124.93 147.76 48.7 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.396 -0.366 . . . . 15.0 110.342 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.474 HD11 ' HA ' ' A' ' 12' ' ' LEU . 57.2 mt -81.11 125.92 39.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.738 0.304 . . . . 15.0 110.466 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.445 HG21 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -91.18 129.38 42.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.999 -0.546 . . . . 15.0 110.021 179.691 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -106.94 111.2 23.59 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.395 -0.366 . . . . 15.0 110.872 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.422 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 2.1 tmm_? -97.12 112.71 24.37 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.86 -0.793 . . . . 15.0 108.86 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 t70 63.9 19.86 11.94 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.629 0.728 . . . . 15.0 110.099 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.89 -8.39 70.53 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.498 -0.774 . . . . 15.0 112.508 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.49 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 1.2 t-20 -87.21 133.9 37.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.92 -0.4 . . . . 15.0 109.92 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.49 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 41.6 Cg_endo -67.99 116.84 4.52 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.678 2.252 . . . . 15.0 112.857 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' A' ' 55' ' ' ARG . 33.2 m-85 -121.9 163.92 18.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.63 -0.714 . . . . 15.0 109.823 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.52 -177.54 3.93 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.874 0.369 . . . . 15.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.8 t -114.49 122.04 67.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.036 -0.727 . . . . 15.0 109.036 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 27.6 p -75.86 -179.79 5.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.176 0.512 . . . . 15.0 111.454 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -70.61 -17.35 62.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.486 -0.779 . . . . 15.0 110.515 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -82.67 -52.79 6.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 15.0 110.108 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.7 m -73.32 -17.84 61.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.68 -0.691 . . . . 15.0 111.625 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 22.7 tp . . . . . 0 CA--C 1.533 0.318 0 CA-C-N 115.981 -0.554 . . . . 15.0 112.358 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.238 0.454 0 N-CA-C 109.556 -0.535 . . . . 15.0 109.556 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' B' ' 11' ' ' LYS . 10.3 Cg_endo -52.43 143.2 45.38 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.699 2.266 . . . . 15.0 111.884 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.613 ' N ' ' HD3' ' B' ' 10' ' ' ARG . 0.0 OUTLIER -77.98 20.08 0.38 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.87 -0.604 . . . . 15.0 111.119 -178.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' B' ' 9' ' ' PRO . 64.1 mmtt -131.87 123.8 28.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.266 -0.642 . . . . 15.0 109.266 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.516 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 36.1 tp -51.54 -50.47 76.65 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 113.479 0.918 . . . . 15.0 113.479 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 10.0 Cg_endo -53.59 -35.09 75.88 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 122.301 2.0 . . . . 15.0 113.213 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -86.26 -27.96 24.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 15.0 110.838 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.65 -35.02 79.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.149 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 34.4 m -64.54 -29.68 70.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.925 -0.579 . . . . 15.0 110.592 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -38.47 78.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.533 -0.303 . . . . 15.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -68.98 -23.41 64.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.269 0.557 . . . . 15.0 109.71 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 15.2 mt -94.21 -1.59 53.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.391 -0.822 . . . . 15.0 110.082 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 57.25 44.03 22.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.534 -0.757 . . . . 15.0 111.67 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.8 t -147.81 -172.86 4.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.401 -0.363 . . . . 15.0 110.548 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.7 p -118.36 172.04 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.775 0.322 . . . . 15.0 111.297 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.436 ' HA ' HG22 ' B' ' 26' ' ' ILE . 4.0 mt -72.34 -3.5 4.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.26 0.552 . . . . 15.0 111.273 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -102.07 7.9 41.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.03 0.443 . . . . 15.0 109.937 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -130.31 -39.09 1.35 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.994 -0.548 . . . . 15.0 111.294 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.436 HG22 ' HA ' ' B' ' 23' ' ' ILE . 12.0 tt -65.98 133.66 30.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.092 -0.503 . . . . 15.0 111.331 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 36.6 mm -124.43 129.03 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.133 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.7 mp -114.25 158.41 21.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.431 -0.35 . . . . 15.0 110.451 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.473 ' HB2' ' CE2' ' B' ' 60' ' ' TYR . 85.6 mt-10 -105.05 158.21 16.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.37 -0.377 . . . . 15.0 110.035 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 37.0 t -73.52 136.75 44.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.901 -0.407 . . . . 15.0 109.901 178.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.42 HG13 ' CD2' ' B' ' 32' ' ' TYR . 4.8 p -66.56 -23.54 31.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.753 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.544 ' HB2' ' SG ' ' B' ' 66' ' ' CYS . 67.6 m-85 -109.14 -53.52 2.64 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.04 0.385 . . . . 15.0 112.04 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 5.4 m -74.55 -22.6 58.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.726 0.298 . . . . 15.0 111.164 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 51.6 mttp 62.19 26.79 16.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.653 -0.703 . . . . 15.0 111.136 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -99.63 149.93 22.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.529 -0.76 . . . . 15.0 109.718 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -74.75 124.95 27.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.841 0.353 . . . . 15.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.74 130.76 36.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.035 -0.53 . . . . 15.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.85 157.05 38.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.974 -0.557 . . . . 15.0 109.502 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -55.8 -29.86 60.41 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.77 0.319 . . . . 15.0 110.588 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -58.44 -47.01 85.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 15.0 110.685 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.3 -33.51 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.799 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.5 -37.99 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 15.0 111.044 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -65.35 -40.76 94.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.574 -0.284 . . . . 15.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.09 -36.71 80.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.429 0.633 . . . . 15.0 109.394 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.418 ' HA ' HD12 ' B' ' 50' ' ' LEU . 82.9 t80 -60.42 -41.84 94.8 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.292 -0.867 . . . . 15.0 110.657 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.06 -25.54 40.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -44.19 69.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.541 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -81.07 162.22 23.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.106 -0.331 . . . . 15.0 110.106 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -84.07 78.24 9.79 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.247 -0.649 . . . . 15.0 109.247 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 45' ' ' PHE . 71.1 mt -110.28 -167.81 1.24 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.373 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 p -147.34 152.6 38.48 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.762 -0.458 . . . . 15.0 109.762 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 5.0 mp -80.21 122.97 36.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.587 -0.523 . . . . 15.0 109.587 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.6 t -90.41 127.82 42.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.578 -0.527 . . . . 15.0 109.578 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -94.09 111.07 22.75 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.043 0.449 . . . . 15.0 111.674 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -95.76 114.01 25.7 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.604 -0.887 . . . . 15.0 108.604 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 68.78 -78.06 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.92 0.762 . . . . 15.0 109.882 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.76 25.11 0.36 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.124 -0.56 . . . . 15.0 112.07 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -134.45 146.1 57.91 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.576 0.227 . . . . 15.0 110.783 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.76 117.58 4.87 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.941 2.427 . . . . 15.0 112.204 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' B' ' 29' ' ' GLU . 4.8 m-85 -119.42 162.84 18.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.062 -0.517 . . . . 15.0 109.953 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.57 179.51 4.2 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.881 0.372 . . . . 15.0 110.903 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.5 120.4 64.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.815 -0.63 . . . . 15.0 109.482 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . 0.6 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 30.7 p -72.93 175.65 6.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.982 0.42 . . . . 15.0 111.097 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.36 -23.54 67.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.818 -0.628 . . . . 15.0 110.804 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.43 ' HB2' ' SG ' ' B' ' 63' ' ' CYS . 18.9 mtpt -76.52 -58.07 3.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.951 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 29.4 m -70.3 -23.79 62.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.035 -0.53 . . . . 15.0 112.132 -178.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.6 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 9.7 tp -56.21 -46.85 79.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.739 0.304 . . . . 15.0 111.546 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -80.3 -24.83 39.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.84 0.352 . . . . 15.0 111.12 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -76.01 -46.46 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.5 0.556 . . . . 15.0 112.5 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.966 -0.54 . . . . 15.0 111.471 -178.436 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo . . . . . 0 N--CA 1.463 -0.276 0 CA-C-O 121.125 0.386 . . . . 15.0 112.201 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 2.2 mpt_? -96.59 -3.4 43.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.268 -0.424 . . . . 15.0 111.504 -178.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' OE1' ' A' ' 14' ' ' GLN . 51.8 mttm -107.78 133.74 51.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.563 -0.29 . . . . 15.0 110.252 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.4 tp -52.9 -51.57 73.13 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 113.257 0.836 . . . . 15.0 113.257 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.1 Cg_endo -55.88 -40.22 86.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 121.857 1.705 . . . . 15.0 112.551 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.473 ' OE1' ' HB2' ' A' ' 11' ' ' LYS . 93.6 mt-30 -69.19 -33.65 73.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.926 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.551 HD22 HD13 ' A' ' 52' ' ' ILE . 61.2 tp -64.89 -35.1 80.05 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.518 -0.549 . . . . 15.0 109.518 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -64.35 -40.21 95.41 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.743 -0.662 . . . . 15.0 109.995 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -44.3 96.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.585 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.08 -35.61 80.83 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.23 0.538 . . . . 15.0 110.336 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mt -82.18 -3.22 54.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.776 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 59.65 43.92 15.05 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.771 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.413 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 7.8 t -150.79 -174.18 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.001 -0.545 . . . . 15.0 110.568 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.4 p -111.54 175.56 5.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.993 0.425 . . . . 15.0 111.334 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.455 ' HA ' HG22 ' A' ' 26' ' ' ILE . 19.6 mt -69.68 -13.16 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -89.17 -6.86 56.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.007 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.413 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 29.3 t70 -120.96 -27.06 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.689 0.255 . . . . 15.0 111.689 -178.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.455 HG22 ' HA ' ' A' ' 23' ' ' ILE . 18.5 tt -58.09 124.35 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 121.396 0.617 . . . . 15.0 111.628 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.1 mm -106.6 117.09 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.855 -0.612 . . . . 15.0 110.54 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.614 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.4 mp -124.24 148.13 47.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.223 -0.444 . . . . 15.0 109.818 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -109.64 158.44 18.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.36 -0.382 . . . . 15.0 110.358 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 44.4 t -67.27 140.06 57.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.186 0.517 . . . . 15.0 110.966 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.42 -22.42 22.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.533 -0.758 . . . . 15.0 111.05 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -104.22 -63.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.453 ' HB2' ' HG2' ' A' ' 35' ' ' GLN . 28.1 m -68.61 -20.6 64.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.732 0.301 . . . . 15.0 111.667 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 47.5 mmtm 67.0 9.07 6.61 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.896 -0.593 . . . . 15.0 111.652 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.453 ' HG2' ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -87.62 151.63 22.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.505 -0.316 . . . . 15.0 110.32 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -69.42 134.79 49.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.165 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -81.21 141.41 34.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.45 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 42' ' ' VAL . 92.9 mt -81.0 167.65 19.57 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.998 -0.371 . . . . 15.0 109.998 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -61.84 -15.6 43.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.527 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 40' ' ' ARG . 9.5 mmm180 -75.6 -47.48 26.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.065 0.46 . . . . 15.0 110.333 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mp0 -71.4 -33.32 69.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.905 -0.589 . . . . 15.0 111.455 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 38' ' ' LEU . 51.1 t -62.4 -39.89 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.88 0.372 . . . . 15.0 110.771 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -66.67 -45.95 77.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.549 . . . . 15.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -61.31 -39.8 91.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.68 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -60.83 -36.46 79.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 15.0 111.09 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.56 -24.21 49.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 15.0 111.355 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.95 -24.61 48.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 15.0 110.527 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.474 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 46.6 mtt180 -87.17 174.13 8.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.422 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -104.24 21.93 15.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.221 0.534 . . . . 15.0 110.953 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.78 155.52 26.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.582 -0.736 . . . . 15.0 110.142 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.5 m -103.87 172.43 6.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.77 0.319 . . . . 15.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.551 HD13 HD22 ' A' ' 15' ' ' LEU . 16.6 mt -80.14 130.6 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.298 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -91.94 112.6 25.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.358 0.599 . . . . 15.0 110.435 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -93.57 107.48 19.33 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.185 0.517 . . . . 15.0 109.876 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -101.43 116.98 34.0 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.986 -0.746 . . . . 15.0 108.986 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 t70 72.06 -71.14 0.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 124.225 0.953 . . . . 15.0 110.498 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.25 29.27 0.11 Allowed Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.166 -0.774 . . . . 15.0 111.166 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 2.4 t-20 -133.31 134.28 23.83 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.152 -0.314 . . . . 15.0 110.152 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 6.7 Cg_exo -72.85 99.16 1.05 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.496 2.131 . . . . 15.0 111.222 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -97.74 159.66 14.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.311 -0.404 . . . . 15.0 110.144 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.614 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -117.12 168.01 10.66 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.926 -0.579 . . . . 15.0 110.339 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.0 t -116.32 114.31 45.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 108.954 -0.758 . . . . 15.0 108.954 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.34 164.96 25.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.26 -0.274 . . . . 15.0 110.26 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.413 ' HA ' ' HB2' ' A' ' 67' ' ' LEU . 31.8 t70 -53.51 -31.59 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.405 . . . . 15.0 111.76 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -57.27 -59.06 5.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 15.0 111.169 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -30.39 64.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.005 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.474 HD13 ' CZ ' ' A' ' 48' ' ' ARG . 10.0 mt . . . . . 0 C--N 1.329 -0.303 0 N-CA-C 113.066 0.765 . . . . 15.0 113.066 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.436 ' HB3' ' CE2' ' B' ' 54' ' ' TYR . 18.9 mtm180 . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 121.142 0.496 . . . . 15.0 110.835 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.464 ' CG ' ' HG3' ' B' ' 18' ' ' GLU . 12.6 Cg_exo -70.02 161.25 46.68 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.772 2.314 . . . . 15.0 111.926 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -99.22 5.64 46.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.783 0.325 . . . . 15.0 111.836 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -120.68 142.06 49.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.796 0.332 . . . . 15.0 110.695 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.471 HD23 ' HB2' ' B' ' 46' ' ' ALA . 39.8 tp -55.37 -53.63 59.89 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 113.251 0.834 . . . . 15.0 113.251 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.4 Cg_endo -55.16 -42.69 66.33 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.112 1.875 . . . . 15.0 112.435 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -67.98 -40.75 83.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 15.0 110.55 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.96 -38.68 86.75 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.966 -0.561 . . . . 15.0 110.572 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 64.6 m -62.4 -40.37 96.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 15.0 110.435 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m -64.24 -41.3 97.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.446 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' B' ' 9' ' ' PRO . 10.1 mm-40 -68.07 -34.7 76.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.445 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 mt -83.1 -1.82 53.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.531 . . . . 15.0 110.98 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 62.28 35.92 14.99 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.023 -0.535 . . . . 15.0 111.49 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.4 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 13.3 t -141.22 -173.05 3.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.425 -0.352 . . . . 15.0 110.422 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.08 164.98 15.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.572 -0.286 . . . . 15.0 110.405 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.23 -20.25 19.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 121.005 0.431 . . . . 15.0 111.974 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -87.15 -5.85 58.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.241 -0.287 . . . . 15.0 111.77 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.4 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 29.7 t70 -121.37 -31.9 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.709 0.263 . . . . 15.0 111.709 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 tt -58.35 135.13 22.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.402 0.62 . . . . 15.0 111.798 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 mm -122.05 114.76 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.797 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -114.5 156.75 24.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.276 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -115.52 159.5 21.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.321 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . 0.48 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 53.5 t -68.73 138.16 54.66 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.581 -0.525 . . . . 15.0 109.581 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.99 -24.85 33.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.853 0.359 . . . . 15.0 111.32 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -101.46 -67.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.831 0.348 . . . . 15.0 111.456 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . 0.437 ' SG ' ' NZ ' ' B' ' 65' ' ' LYS . 1.4 m -67.73 -18.56 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.969 -0.559 . . . . 15.0 112.08 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 61.1 mttp 56.05 37.03 28.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.607 0.718 . . . . 15.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -97.69 139.06 34.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.113 -0.948 . . . . 15.0 109.565 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -70.44 111.29 5.89 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.87 -0.418 . . . . 15.0 109.87 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mp -73.27 130.17 39.63 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.318 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.03 149.53 50.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.655 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -48.63 -39.36 23.85 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.45 0.469 . . . . 15.0 112.079 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.522 ' HA ' ' CD2' ' B' ' 43' ' ' TYR . 47.4 ttp180 -61.48 -43.02 99.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.716 0.293 . . . . 15.0 111.363 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.9 -31.65 71.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.045 0.45 . . . . 15.0 110.415 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.59 -34.06 65.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.709 -0.678 . . . . 15.0 110.945 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' B' ' 40' ' ' ARG . 16.9 m-85 -63.89 -27.08 68.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.464 -0.335 . . . . 15.0 111.078 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -26.93 66.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.955 0.407 . . . . 15.0 110.473 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.58 -31.76 70.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.627 -0.715 . . . . 15.0 110.116 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.471 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -85.99 -33.05 21.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.768 -0.651 . . . . 15.0 110.193 178.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -48.75 79.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.334 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -97.65 156.43 16.54 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.419 -0.586 . . . . 15.0 109.419 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -85.21 98.09 10.29 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.302 -0.559 . . . . 15.0 110.081 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.2 mt -126.61 169.31 13.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.799 -0.637 . . . . 15.0 110.084 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 72.8 m -113.93 146.0 40.7 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.248 -0.433 . . . . 15.0 110.225 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 47.1 mt -83.36 134.71 26.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.967 0.413 . . . . 15.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 m -97.12 136.42 27.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.288 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' B' ' 8' ' ' ARG . 23.9 m-85 -111.04 116.39 31.08 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.944 0.402 . . . . 15.0 111.299 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.444 ' NH1' ' HB2' ' B' ' 56' ' ' ASP . 0.4 OUTLIER -86.64 104.53 16.14 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.019 -1.104 . . . . 15.0 108.019 178.618 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.444 ' HB2' ' NH1' ' B' ' 55' ' ' ARG . 19.8 t70 68.72 -77.46 0.05 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.964 0.79 . . . . 15.0 110.245 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.95 21.32 0.88 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.749 -0.54 . . . . 15.0 111.749 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -121.39 138.35 28.08 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.429 0.157 . . . . 15.0 110.589 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -71.53 118.89 5.89 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.564 2.176 . . . . 15.0 112.059 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -124.37 164.46 19.59 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.184 0.516 . . . . 15.0 110.56 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.1 -174.65 2.63 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.299 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 t -123.34 121.75 63.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.321 -0.622 . . . . 15.0 109.321 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 31.0 p -70.02 170.78 10.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 15.0 111.131 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.42 -28.64 65.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.427 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.437 ' NZ ' ' SG ' ' B' ' 33' ' ' CYS . 0.1 OUTLIER -78.17 -52.79 8.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.133 -0.485 . . . . 15.0 111.088 -179.233 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 60.6 m -68.16 -23.99 64.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 15.0 111.348 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 15.8 tp -55.14 -52.96 61.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.15 0.5 . . . . 15.0 111.103 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -80.54 -14.18 58.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.054 -0.521 . . . . 15.0 111.322 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.28 -46.18 20.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.15 -0.477 . . . . 15.0 111.075 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.842 -0.599 . . . . 15.0 110.92 -179.289 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo . . . . . 0 N--CA 1.459 -0.525 0 CA-C-O 120.82 0.258 . . . . 15.0 112.076 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -96.06 -5.24 41.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.387 -0.369 . . . . 15.0 110.458 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -106.12 128.27 53.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.152 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.583 HD23 ' HB2' ' A' ' 46' ' ' ALA . 19.8 tp -54.59 -48.98 93.68 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 112.983 0.734 . . . . 15.0 112.983 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 8.9 Cg_endo -52.01 -39.67 69.26 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.16 1.907 . . . . 15.0 112.463 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -75.96 -30.97 58.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.712 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.744 HD22 HD13 ' A' ' 52' ' ' ILE . 46.1 tp -65.23 -35.67 81.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.307 0.575 . . . . 15.0 109.801 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -64.9 -33.15 75.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.651 -0.704 . . . . 15.0 109.916 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -38.9 72.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.505 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -66.51 -38.46 87.26 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.135 0.493 . . . . 15.0 110.115 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mt -80.87 -8.65 59.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.856 -0.611 . . . . 15.0 110.849 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 59.04 48.7 10.41 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.805 -0.634 . . . . 15.0 110.913 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -147.09 -179.87 7.13 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.348 -0.387 . . . . 15.0 110.335 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.8 p -100.83 163.79 12.14 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.106 0.479 . . . . 15.0 111.304 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.428 ' HA ' HG22 ' A' ' 26' ' ' ILE . 16.2 mt -68.5 -14.47 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 115.673 -0.694 . . . . 15.0 111.305 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.64 -4.47 55.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.353 -0.385 . . . . 15.0 110.726 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -115.43 -34.78 4.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.36 -0.382 . . . . 15.0 111.559 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.428 HG22 ' HA ' ' A' ' 23' ' ' ILE . 18.4 tt -61.66 123.71 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.356 0.598 . . . . 15.0 111.429 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -115.94 104.4 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.899 -0.591 . . . . 15.0 109.791 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.489 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.2 tp -95.66 154.7 17.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.161 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -111.77 151.73 28.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.32 -0.4 . . . . 15.0 110.483 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.515 ' HB3' ' H ' ' A' ' 35' ' ' GLN . 46.4 t -70.89 139.16 50.69 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.715 -0.476 . . . . 15.0 109.715 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.501 HG23 ' HB2' ' A' ' 55' ' ' ARG . 9.5 p -80.92 -19.91 11.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.836 -0.62 . . . . 15.0 111.196 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -92.91 -67.83 0.84 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.219 0.452 . . . . 15.0 112.219 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.401 ' SG ' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -84.73 -9.25 58.39 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.435 0.532 . . . . 15.0 112.435 -178.378 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 13.1 mptt 59.98 62.11 1.73 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.436 0.636 . . . . 15.0 110.441 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.515 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 18.6 mm-40 -125.12 136.34 53.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.536 -0.756 . . . . 15.0 109.821 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -73.03 121.24 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.838 0.351 . . . . 15.0 110.648 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -86.12 132.81 33.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.638 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 42' ' ' VAL . 31.0 tp -80.23 160.01 25.73 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.135 -0.691 . . . . 15.0 109.135 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' HA ' ' HB ' ' A' ' 42' ' ' VAL . 2.5 ptm180 -53.1 -24.31 9.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.529 0.204 . . . . 15.0 111.46 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -59.31 -45.13 92.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.042 0.448 . . . . 15.0 110.714 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.85 -29.52 29.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.111 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 38' ' ' LEU . 97.4 t -61.12 -37.38 77.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.192 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -65.33 -36.11 83.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.496 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -67.38 -34.11 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 15.0 110.56 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -64.66 -34.4 78.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.598 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.583 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -85.24 -27.17 26.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 15.0 111.494 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -21.16 62.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 15.0 111.062 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -114.47 156.19 25.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.621 -0.511 . . . . 15.0 109.621 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -81.22 83.97 6.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.349 0.595 . . . . 15.0 110.455 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.0 mt -117.38 177.1 4.86 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.559 -0.746 . . . . 15.0 110.28 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.9 m -132.03 146.73 52.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.179 -0.464 . . . . 15.0 110.33 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.744 HD13 HD22 ' A' ' 15' ' ' LEU . 65.8 mt -80.69 135.61 24.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.993 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.421 HG21 HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -100.72 136.53 31.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.78 -0.645 . . . . 15.0 109.954 179.64 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -113.97 110.64 20.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.952 0.405 . . . . 15.0 111.791 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' HB2' HG23 ' A' ' 31' ' ' VAL . 3.3 tmm_? -91.11 111.92 23.61 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.549 -0.908 . . . . 15.0 108.549 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 12.0 t70 71.71 -69.58 0.18 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.864 0.728 . . . . 15.0 110.89 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.75 34.93 0.16 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.968 -0.634 . . . . 15.0 112.205 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.453 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 29.9 t30 -137.14 133.67 18.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.453 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 37.4 Cg_endo -67.6 119.72 6.74 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.823 2.349 . . . . 15.0 112.229 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' ' 58' ' ' ASN . 36.7 m-85 -126.47 157.53 38.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.041 0.448 . . . . 15.0 110.611 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.489 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -114.75 -171.16 1.88 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.785 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 6.2 t -127.84 119.66 52.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.978 -0.749 . . . . 15.0 108.978 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 2.8 p -73.16 172.72 10.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 15.0 111.118 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -58.23 -24.13 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.643 -0.708 . . . . 15.0 112.234 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -73.93 -58.69 3.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.68 -0.236 . . . . 15.0 110.947 -179.339 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.433 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -73.61 -17.86 61.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.821 0.343 . . . . 15.0 111.845 -179.607 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 11.1 tp . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.029 -0.532 . . . . 15.0 112.221 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 . . . . . 0 C--O 1.236 0.364 0 CA-C-O 120.903 0.383 . . . . 15.0 110.748 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.92 177.69 6.11 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.83 2.353 . . . . 15.0 112.493 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -102.49 -3.07 27.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.48 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' B' ' 14' ' ' GLN . 62.9 mmtt -102.84 136.29 42.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.953 -0.388 . . . . 15.0 109.953 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.65 ' HA ' HD11 ' B' ' 52' ' ' ILE . 12.7 tp -58.27 -53.68 63.59 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.605 0.594 . . . . 15.0 112.605 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.6 Cg_endo -56.66 -34.83 96.72 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.111 1.874 . . . . 15.0 112.204 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.41 ' HB2' ' HB2' ' B' ' 11' ' ' LYS . 2.0 tt0 -69.94 -35.34 74.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.759 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.412 HD22 HD13 ' B' ' 52' ' ' ILE . 22.6 tp -65.43 -34.57 78.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.039 0.447 . . . . 15.0 110.099 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 36.3 m -61.6 -33.08 73.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.704 -0.68 . . . . 15.0 110.279 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -44.16 72.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.036 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.02 -38.02 89.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 15.0 110.371 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.72 -6.67 54.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.954 -0.566 . . . . 15.0 111.145 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 57.95 44.58 19.51 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.108 -0.496 . . . . 15.0 112.202 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -150.03 -178.9 6.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.603 -0.271 . . . . 15.0 110.523 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -98.95 173.85 6.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.947 0.404 . . . . 15.0 110.607 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.432 ' H ' HG13 ' B' ' 23' ' ' ILE . 1.2 mt -78.4 2.73 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.467 0.651 . . . . 15.0 110.183 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -104.58 7.61 35.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.714 -0.676 . . . . 15.0 110.165 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -131.29 -32.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.969 -0.559 . . . . 15.0 111.887 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.5 tt -77.27 125.21 36.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.242 0.544 . . . . 15.0 111.527 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 49.8 mm -115.09 127.75 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 15.0 110.139 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.62 161.04 19.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.701 0.286 . . . . 15.0 110.686 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -111.47 156.89 20.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.561 -0.291 . . . . 15.0 110.69 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 48.6 t -69.45 139.18 53.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 15.0 110.23 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 6.8 p -73.26 -23.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.994 -0.548 . . . . 15.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -102.91 -60.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.743 0.306 . . . . 15.0 111.493 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 m -71.66 -21.49 61.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 15.0 111.463 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 93.6 mttt 64.17 17.78 10.88 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.08 -0.509 . . . . 15.0 111.083 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -90.91 158.73 16.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.357 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -77.43 132.5 38.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.863 0.363 . . . . 15.0 111.221 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -96.69 112.27 24.09 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.111 -0.495 . . . . 15.0 109.817 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.422 ' O ' HG23 ' B' ' 42' ' ' VAL . 71.5 mt -67.72 165.45 17.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.779 -0.452 . . . . 15.0 109.779 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -54.0 -21.71 8.81 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.772 0.32 . . . . 15.0 111.618 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -59.38 -49.61 77.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.994 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -82.34 -25.74 33.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.721 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 38' ' ' LEU . 89.7 t -62.15 -45.45 98.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.381 . . . . 15.0 110.174 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -69.98 -31.08 68.6 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -65.19 -38.58 90.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.538 0.685 . . . . 15.0 109.321 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.76 -43.07 69.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.915 -1.038 . . . . 15.0 110.454 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.441 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -75.43 -23.51 56.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.91 -0.586 . . . . 15.0 112.398 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -36.88 85.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.011 0.434 . . . . 15.0 110.477 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 -92.84 -140.14 0.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.615 -0.721 . . . . 15.0 109.106 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -147.42 84.61 1.57 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.211 0.529 . . . . 15.0 110.168 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mp -120.6 151.34 39.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.647 -0.706 . . . . 15.0 109.67 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 27.2 p -92.85 156.94 16.65 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.283 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.65 HD11 ' HA ' ' B' ' 12' ' ' LEU . 74.6 mt -80.34 131.57 33.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.085 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 5.9 t -91.06 117.09 33.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.129 -0.693 . . . . 15.0 109.129 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -94.31 110.56 22.31 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.214 0.53 . . . . 15.0 111.461 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.437 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -97.14 115.79 28.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.752 -0.832 . . . . 15.0 108.752 178.769 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 3.7 t70 71.53 -71.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.882 0.739 . . . . 15.0 111.064 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.79 22.66 0.1 OUTLIER Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.899 -0.667 . . . . 15.0 112.011 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.431 ' HA ' ' HD3' ' B' ' 59' ' ' PRO . 1.6 t30 -132.47 144.06 51.41 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 110.096 -0.335 . . . . 15.0 110.096 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 12.1 Cg_exo -69.49 122.88 9.63 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.665 2.244 . . . . 15.0 112.78 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -121.83 154.13 37.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.209 -0.663 . . . . 15.0 109.209 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.47 179.63 3.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.132 0.492 . . . . 15.0 111.14 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 25.9 t -119.41 123.22 70.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.606 -0.725 . . . . 15.0 109.456 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 6.4 p -77.78 171.98 14.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.905 0.383 . . . . 15.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.25 -31.72 65.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.652 -0.704 . . . . 15.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -56.93 5.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.866 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 37.1 m -69.59 -17.86 63.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 15.0 112.333 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.0 -48.96 67.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.779 0.323 . . . . 15.0 111.636 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -81.71 -11.47 59.03 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.288 -0.415 . . . . 15.0 111.617 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -72.46 -51.87 18.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.512 -0.313 . . . . 15.0 111.475 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.425 -0.798 . . . . 15.0 110.88 -178.443 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo . . . . . 0 C--O 1.233 0.234 0 CA-C-O 121.198 0.416 . . . . 15.0 112.71 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -93.35 -5.22 50.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.833 -0.621 . . . . 15.0 110.975 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -115.2 133.15 56.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.105 0.479 . . . . 15.0 110.591 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.516 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 4.4 tp -53.22 -51.2 77.48 Favored Pre-proline 0 CA--C 1.538 0.515 0 N-CA-C 113.739 1.015 . . . . 15.0 113.739 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 7.7 Cg_endo -51.69 -37.97 65.41 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 122.214 1.943 . . . . 15.0 112.856 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -73.68 -36.53 65.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.477 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.418 HD22 HD13 ' A' ' 52' ' ' ILE . 54.4 tp -63.22 -35.06 79.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.864 -0.607 . . . . 15.0 111.117 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.5 m -54.49 -37.12 64.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.099 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -42.81 73.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.427 -0.352 . . . . 15.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.72 -33.81 75.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.974 0.416 . . . . 15.0 110.753 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -85.24 -3.83 58.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.757 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 56.95 57.11 4.85 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.853 -0.612 . . . . 15.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 15.3 t -158.67 -175.12 5.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.137 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.16 169.6 9.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.593 -0.276 . . . . 15.0 110.766 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.487 ' HA ' HG22 ' A' ' 26' ' ' ILE . 21.0 mt -67.38 -7.65 6.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.487 0.661 . . . . 15.0 111.449 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -95.96 -9.38 31.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.202 -0.454 . . . . 15.0 110.65 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.401 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 22.5 t70 -123.52 -30.51 3.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 15.0 111.989 -178.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.487 HG22 ' HA ' ' A' ' 23' ' ' ILE . 19.6 tt -57.54 126.04 14.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.511 0.672 . . . . 15.0 111.834 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.8 mm -125.44 120.07 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.468 -0.787 . . . . 15.0 109.719 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mp -118.38 160.87 20.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.315 -0.402 . . . . 15.0 110.382 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -110.43 156.82 20.29 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.344 -0.389 . . . . 15.0 110.352 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 41.1 t -68.29 140.09 55.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.967 0.413 . . . . 15.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.13 -31.66 54.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.439 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -105.79 -49.95 3.29 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.22 0.452 . . . . 15.0 112.22 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 m -77.19 -23.77 51.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.612 0.227 . . . . 15.0 111.612 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER 61.05 24.12 14.25 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.129 0.49 . . . . 15.0 110.954 -179.54 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -88.61 156.37 19.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.868 -0.606 . . . . 15.0 109.788 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.41 HE21 ' HB3' ' A' ' 36' ' ' GLN . 3.3 mt-30 -77.13 119.89 21.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.977 0.417 . . . . 15.0 111.064 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -86.47 112.99 22.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.83 -0.623 . . . . 15.0 109.878 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.62 158.87 26.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.758 -0.46 . . . . 15.0 109.758 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 39' ' ' ARG . 2.5 ptm180 -54.08 -21.07 7.59 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.859 0.318 . . . . 15.0 111.859 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -59.92 -47.28 86.44 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 110.133 -0.321 . . . . 15.0 110.133 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -75.95 -30.77 58.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 15.0 109.71 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.9 t -59.39 -41.22 83.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.312 -0.858 . . . . 15.0 110.305 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -64.67 -42.25 95.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.16 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.21 -30.26 70.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.93 -0.577 . . . . 15.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -65.24 -34.79 79.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.874 -0.603 . . . . 15.0 110.156 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.0 -35.0 22.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.937 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -69.66 -37.23 76.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.832 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -93.91 175.59 6.66 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.662 -0.496 . . . . 15.0 109.662 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -100.61 82.24 2.42 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.265 0.555 . . . . 15.0 109.667 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.6 mt -118.62 156.83 28.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.061 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.39 148.43 40.67 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.11 -0.495 . . . . 15.0 109.988 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.436 HD11 ' HA ' ' A' ' 12' ' ' LEU . 55.4 mt -80.29 137.55 21.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.874 -0.603 . . . . 15.0 110.752 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.422 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -116.22 115.23 48.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.587 -0.733 . . . . 15.0 109.841 179.5 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -93.12 110.21 21.7 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.966 -0.383 . . . . 15.0 109.966 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -91.67 111.69 23.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.764 -0.653 . . . . 15.0 109.919 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 t0 65.18 27.23 12.31 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.882 0.739 . . . . 15.0 111.005 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.37 31.23 47.1 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.741 -0.742 . . . . 15.0 112.552 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.432 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 2.1 m-20 -124.86 143.88 45.13 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 109.863 -0.421 . . . . 15.0 109.863 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 16.9 Cg_exo -66.28 105.86 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.611 2.207 . . . . 15.0 112.446 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 38.1 m-85 -125.6 154.72 41.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.44 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.83 179.39 5.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.211 -0.449 . . . . 15.0 110.328 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -105.92 118.35 53.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.561 -0.533 . . . . 15.0 109.561 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 30.2 p -73.1 175.58 6.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.321 0.581 . . . . 15.0 111.568 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.67 -24.92 67.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.294 -0.866 . . . . 15.0 110.698 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -80.0 -57.42 3.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.882 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.5 m -68.49 -17.43 64.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 15.0 112.186 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.382 0 N-CA-C 112.324 0.49 . . . . 15.0 112.324 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.908 0.385 . . . . 15.0 110.607 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -63.39 159.6 39.25 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.158 1.905 . . . . 15.0 112.064 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -86.03 3.24 43.2 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.154 -0.475 . . . . 15.0 111.171 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -114.37 127.98 56.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.36 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 16.0 tp -51.65 -52.23 62.46 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 113.329 0.862 . . . . 15.0 113.329 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.8 Cg_endo -55.34 -37.6 94.47 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.186 1.924 . . . . 15.0 113.147 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -78.54 -32.06 47.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.998 0.427 . . . . 15.0 110.701 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -66.23 -35.49 80.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 15.0 109.936 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 61.2 m -62.17 -36.69 82.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.786 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.76 -40.28 84.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.462 -0.336 . . . . 15.0 110.725 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.42 -36.16 82.12 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.245 0.545 . . . . 15.0 109.865 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.67 -6.6 52.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.473 -0.785 . . . . 15.0 110.552 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 59.6 43.02 16.39 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.652 -0.704 . . . . 15.0 110.612 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -149.17 -172.2 4.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.519 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.0 p -112.91 172.5 6.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.821 0.343 . . . . 15.0 111.168 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 19.7 mt -68.96 -18.18 22.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.262 0.553 . . . . 15.0 110.682 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -80.13 -20.43 44.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.875 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -109.24 -19.88 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.019 0.378 . . . . 15.0 112.019 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 16.8 tt -63.74 135.36 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.267 0.556 . . . . 15.0 111.07 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 mm -124.22 128.51 73.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.619 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mp -133.04 160.1 38.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.265 -0.643 . . . . 15.0 109.265 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -116.17 157.71 24.4 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.646 -0.131 . . . . 15.0 110.646 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 46.7 t -67.34 136.95 55.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.126 0.488 . . . . 15.0 110.764 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.451 HG23 ' HG2' ' B' ' 55' ' ' ARG . 6.5 p -67.63 -24.13 30.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.375 -0.829 . . . . 15.0 111.606 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.4 ' CD2' HG13 ' B' ' 31' ' ' VAL . 63.4 m-85 -108.05 -49.86 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.032 0.382 . . . . 15.0 112.032 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 2.9 m -80.7 -21.73 40.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.818 0.303 . . . . 15.0 111.818 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 64.12 19.15 11.64 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.124 0.487 . . . . 15.0 111.109 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -88.35 145.9 25.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.057 -0.52 . . . . 15.0 109.846 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -70.01 121.61 17.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.988 0.423 . . . . 15.0 110.635 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -83.54 120.72 26.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.557 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.413 ' O ' HG23 ' B' ' 42' ' ' VAL . 39.2 mt -71.69 157.63 37.6 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.171 -0.677 . . . . 15.0 109.171 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 39' ' ' ARG . 0.6 OUTLIER -54.35 -24.22 18.55 Favored 'General case' 0 C--O 1.225 -0.235 0 O-C-N 123.016 0.198 . . . . 15.0 111.18 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -58.13 -43.48 87.27 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.943 0.401 . . . . 15.0 110.214 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.4 -34.09 31.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.75 -0.659 . . . . 15.0 109.809 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 38' ' ' LEU . 52.7 t -60.9 -37.6 77.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.673 -0.694 . . . . 15.0 110.254 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -64.97 -42.24 94.74 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.626 -0.509 . . . . 15.0 109.626 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -64.43 -39.03 93.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.696 -0.684 . . . . 15.0 109.889 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -64.31 -35.53 81.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.372 -0.831 . . . . 15.0 110.922 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.07 -26.17 29.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.266 -0.424 . . . . 15.0 111.226 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -69.99 -38.07 75.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.139 0.495 . . . . 15.0 110.059 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -87.14 -177.67 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.699 -0.682 . . . . 15.0 109.198 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -109.99 85.67 2.15 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -125.15 163.35 22.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.749 -0.659 . . . . 15.0 110.697 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 13.1 m -109.8 152.66 25.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.653 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 53.6 mt -84.63 122.76 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.086 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 17.0 t -90.66 113.68 26.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.112 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -92.97 109.06 20.5 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.955 0.407 . . . . 15.0 110.591 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.451 ' HG2' HG23 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -80.93 108.41 14.58 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 108.803 -0.814 . . . . 15.0 108.803 179.324 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 20.4 t70 69.79 -76.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 124.066 0.854 . . . . 15.0 110.539 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.1 32.48 0.37 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.082 -0.58 . . . . 15.0 112.273 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -133.6 137.1 28.09 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.234 -0.284 . . . . 15.0 110.234 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.63 114.81 2.22 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.824 2.35 . . . . 15.0 112.516 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -127.29 148.32 50.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.011 -0.54 . . . . 15.0 109.837 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.33 177.16 5.29 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.549 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 3.6 t -111.15 122.41 65.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.709 -0.478 . . . . 15.0 109.709 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.45 168.99 16.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.792 0.33 . . . . 15.0 110.585 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.37 -29.52 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.657 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -69.33 -57.72 4.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 15.0 110.607 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 58.8 m -66.6 -23.41 66.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.0 -0.545 . . . . 15.0 111.904 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' B' ' 67' ' ' LEU . 13.3 mt -58.48 -39.48 80.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.17 0.51 . . . . 15.0 111.577 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -82.65 -25.91 32.66 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.209 -0.45 . . . . 15.0 111.036 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -78.74 -42.68 27.52 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.806 0.669 . . . . 15.0 112.806 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.529 -0.748 . . . . 15.0 111.197 -178.64 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 N--CA 1.462 -0.382 0 CA-C-O 120.998 0.333 . . . . 15.0 112.054 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -90.79 4.07 52.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.953 0.406 . . . . 15.0 110.507 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -115.22 127.6 55.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.64 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.55 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 13.1 tp -52.58 -49.08 87.99 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 115.163 -0.926 . . . . 15.0 113.395 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 7.8 Cg_endo -51.68 -34.4 53.44 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.471 2.114 . . . . 15.0 113.072 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -81.09 -36.23 30.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.491 -0.322 . . . . 15.0 110.71 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.608 HD22 HD13 ' A' ' 52' ' ' ILE . 59.0 tp -60.34 -35.34 75.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.574 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -59.05 -39.2 81.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.809 -0.632 . . . . 15.0 110.318 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.05 -36.21 74.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 15.0 110.78 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -66.38 -38.33 87.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.603 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 mt -87.77 0.34 55.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 15.0 110.821 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 56.07 51.74 11.49 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.734 -0.666 . . . . 15.0 111.827 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -153.26 -174.69 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.916 -0.401 . . . . 15.0 109.916 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.8 p -111.71 169.26 8.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.852 0.358 . . . . 15.0 111.596 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.8 mt -66.59 -16.38 20.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.835 -0.62 . . . . 15.0 110.708 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -92.87 2.99 56.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.796 -0.638 . . . . 15.0 111.346 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -133.21 -27.34 1.6 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.938 0.348 . . . . 15.0 111.938 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.4 tt -65.33 127.98 27.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.307 0.575 . . . . 15.0 111.009 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 mm -116.91 128.24 74.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.123 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mp -130.17 148.89 52.06 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.882 -0.599 . . . . 15.0 109.967 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -106.56 159.44 16.18 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.118 -0.327 . . . . 15.0 110.118 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 43.4 t -67.25 143.11 56.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.163 0.506 . . . . 15.0 110.673 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.54 -29.25 37.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.822 -0.626 . . . . 15.0 111.231 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -105.41 -45.57 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.089 0.403 . . . . 15.0 112.089 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.5 m -83.07 -23.85 32.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.682 0.277 . . . . 15.0 111.609 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 5.2 mptt 63.21 20.76 12.47 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.049 -0.523 . . . . 15.0 111.222 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -87.81 144.75 26.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.079 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -71.01 113.71 8.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.661 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.51 135.98 52.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.026 0.441 . . . . 15.0 110.188 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.0 mt -74.02 159.75 32.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.963 -0.562 . . . . 15.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -53.19 -36.88 61.44 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.194 0.308 . . . . 15.0 111.603 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -65.7 -38.69 89.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.483 -0.326 . . . . 15.0 110.614 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.1 -33.77 76.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.116 0.484 . . . . 15.0 109.732 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 38' ' ' LEU . 26.4 t -67.37 -37.56 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.104 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -67.42 -41.21 85.22 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.015 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.418 ' HB2' HH21 ' B' ' 40' ' ' ARG . 1.1 t70 -63.03 -33.68 75.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.522 -0.763 . . . . 15.0 110.221 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -61.92 -32.74 73.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.659 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.13 -25.5 27.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.786 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -50.17 16.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.136 -0.484 . . . . 15.0 109.935 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -80.76 143.75 32.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.135 -0.691 . . . . 15.0 109.135 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -77.53 95.31 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.094 0.474 . . . . 15.0 110.084 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.9 mt -127.15 -179.9 5.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.81 -0.632 . . . . 15.0 110.862 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.7 p -131.32 151.78 51.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.792 -0.64 . . . . 15.0 110.063 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.608 HD13 HD22 ' A' ' 15' ' ' LEU . 25.9 mt -85.37 128.09 39.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.438 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.6 m -102.14 114.57 41.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.242 0.544 . . . . 15.0 110.257 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -94.35 110.2 21.99 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.396 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -84.75 113.53 21.39 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.9 -0.778 . . . . 15.0 108.9 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.59 -81.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 124.013 0.821 . . . . 15.0 110.622 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.75 38.61 0.51 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.067 -0.813 . . . . 15.0 111.067 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.423 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 1.5 m-20 -137.16 145.17 49.0 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 110.177 -0.305 . . . . 15.0 110.177 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 5.9 Cg_exo -74.1 106.67 2.26 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.456 2.104 . . . . 15.0 112.371 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -113.49 154.35 27.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.376 -0.375 . . . . 15.0 110.041 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.61 178.85 4.52 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.915 0.388 . . . . 15.0 110.545 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -117.74 119.41 61.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.308 -0.627 . . . . 15.0 109.308 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.7 p -73.7 169.78 16.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.083 -0.34 . . . . 15.0 110.083 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.12 -16.7 54.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.326 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -75.41 -58.8 3.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.277 0.56 . . . . 15.0 110.27 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -72.57 -21.82 61.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.358 -0.837 . . . . 15.0 111.693 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 112.56 0.578 . . . . 15.0 112.56 -179.617 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.417 ' HB3' ' CZ ' ' B' ' 54' ' ' TYR . 37.6 mtt85 . . . . . 0 N--CA 1.466 0.375 0 CA-C-O 120.954 0.407 . . . . 15.0 111.899 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -76.34 163.89 31.71 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 122.565 2.177 . . . . 15.0 111.952 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -98.24 -1.09 42.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -108.67 135.13 50.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.564 0.221 . . . . 15.0 110.794 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.477 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 54.4 tp -55.75 -52.3 73.26 Favored Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 112.559 0.578 . . . . 15.0 112.559 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.2 Cg_endo -56.18 -38.09 95.5 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 122.005 1.803 . . . . 15.0 112.288 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -66.39 -39.35 88.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 15.0 110.571 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.418 HD22 HD13 ' B' ' 52' ' ' ILE . 46.8 tp -66.57 -34.52 78.08 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.36 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.4 m -61.27 -38.15 85.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.478 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -30.92 67.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 15.0 110.767 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -65.48 -40.39 93.04 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.126 0.488 . . . . 15.0 110.091 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 13.8 mt -85.28 -4.19 59.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.511 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 60.03 52.41 5.2 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.496 -0.775 . . . . 15.0 111.093 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.1 t -150.39 -173.46 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.585 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 34.5 p -102.98 167.26 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 15.0 111.495 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.73 -25.74 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.769 -0.65 . . . . 15.0 110.882 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -89.3 8.56 29.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.261 -0.427 . . . . 15.0 111.091 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -128.1 -31.54 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.977 -0.289 . . . . 15.0 111.697 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 13.6 tt -58.88 117.58 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.285 0.564 . . . . 15.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -92.02 108.89 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.077 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.57 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.3 tp -109.61 153.37 24.3 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.447 ' HG3' ' CD1' ' B' ' 60' ' ' TYR . 5.8 pt-20 -116.62 149.88 38.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.245 -0.434 . . . . 15.0 110.794 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 40.5 m -66.44 136.37 55.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.772 0.32 . . . . 15.0 110.701 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.425 ' HA ' ' CD1' ' B' ' 60' ' ' TYR . 2.8 p -60.59 -43.37 94.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.718 -0.674 . . . . 15.0 112.688 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -102.78 -43.93 5.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.083 0.401 . . . . 15.0 112.083 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.12 -29.77 70.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.472 0.177 . . . . 15.0 111.27 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 tptp 59.07 44.68 15.74 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.425 0.631 . . . . 15.0 111.594 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -129.11 169.18 15.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.991 -0.744 . . . . 15.0 108.991 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -76.17 122.93 25.05 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.987 -0.285 . . . . 15.0 110.488 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.451 HD23 HG22 ' B' ' 42' ' ' VAL . 14.0 tp -61.29 134.32 56.84 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.548 ' HB2' ' OE1' ' B' ' 41' ' ' GLU . 89.2 mt -70.61 150.24 46.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.755 0.312 . . . . 15.0 110.755 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -52.09 -41.47 62.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.646 -0.706 . . . . 15.0 112.172 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.418 HH21 ' HB2' ' A' ' 44' ' ' ASP . 52.2 mtp180 -72.09 -33.04 67.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.458 -0.337 . . . . 15.0 111.048 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.548 ' OE1' ' HB2' ' B' ' 38' ' ' LEU . 2.7 mp0 -67.43 -33.15 74.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.995 0.426 . . . . 15.0 110.768 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 38' ' ' LEU . 33.5 t -60.97 -34.4 59.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.966 -0.561 . . . . 15.0 110.033 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -63.64 -39.67 94.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.724 -0.671 . . . . 15.0 111.238 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.98 -37.15 86.36 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.984 0.421 . . . . 15.0 110.201 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.481 ' HA ' HD13 ' B' ' 50' ' ' LEU . 6.6 t80 -64.3 -34.09 77.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.651 -0.704 . . . . 15.0 110.713 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.69 -12.97 46.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.181 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.01 -51.82 5.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 15.0 110.738 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -101.79 179.12 4.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.979 -0.555 . . . . 15.0 111.013 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -104.93 97.75 7.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.94 0.4 . . . . 15.0 110.144 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' B' ' 45' ' ' PHE . 6.5 mp -106.95 -29.36 9.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.997 -0.547 . . . . 15.0 111.145 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 49.4 t 73.93 142.27 0.07 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.923 0.764 . . . . 15.0 110.66 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.418 HD13 HD22 ' B' ' 15' ' ' LEU . 25.6 mt -80.34 123.95 37.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.902 0.382 . . . . 15.0 110.716 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 m -93.22 124.82 45.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.468 -0.568 . . . . 15.0 109.468 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 71.5 m-85 -105.71 109.66 21.7 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.145 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' B' ' 57' ' ' GLY . 5.0 mmm180 -100.11 119.12 37.83 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.833 -0.802 . . . . 15.0 108.833 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t70 74.27 -34.97 0.29 Allowed 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.749 0.656 . . . . 15.0 110.815 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' B' ' 55' ' ' ARG . . . 147.57 -2.09 0.76 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.515 -0.634 . . . . 15.0 111.515 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -97.16 141.04 22.45 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 110.056 -0.35 . . . . 15.0 110.056 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.57 114.2 3.76 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.478 2.119 . . . . 15.0 112.199 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . 0.447 ' CD1' ' HG3' ' B' ' 29' ' ' GLU . 58.0 m-85 -112.81 155.3 24.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 15.0 110.02 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.57 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -107.99 163.21 13.33 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.117 -0.492 . . . . 15.0 111.015 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 20.0 t -119.7 112.32 36.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.07 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 3.4 p -92.36 173.09 7.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.662 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -60.12 -26.25 66.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.485 0.66 . . . . 15.0 109.385 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 1.3 mtpt -66.34 -51.54 56.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.016 -0.993 . . . . 15.0 109.945 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 78.0 m -65.51 -37.02 85.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.74 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.3 -41.04 96.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 15.0 111.841 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 14.7 pttp -80.58 -22.56 40.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 15.0 110.787 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -76.97 -47.7 20.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 15.0 111.714 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.27 -0.871 . . . . 15.0 110.61 -179.032 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 N--CA 1.462 -0.355 0 N-CA-C 111.38 -0.277 . . . . 15.0 111.38 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -94.17 6.27 49.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.964 0.411 . . . . 15.0 111.114 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -120.45 136.47 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.331 0.586 . . . . 15.0 110.757 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.556 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.7 tp -56.4 -50.54 87.08 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 114.848 -1.069 . . . . 15.0 113.857 -178.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.1 Cg_endo -48.38 -46.59 22.75 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.829 2.353 . . . . 15.0 113.897 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -77.66 -31.22 52.47 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.67 0.248 . . . . 15.0 111.67 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.35 -35.52 79.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 15.0 110.711 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 m -60.36 -40.03 89.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.108 -0.497 . . . . 15.0 110.712 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.62 94.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 15.0 111.12 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.43 -32.86 74.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.029 0.443 . . . . 15.0 110.096 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.17 -2.68 56.11 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.919 -0.582 . . . . 15.0 109.963 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 60.4 31.96 20.49 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.212 -0.904 . . . . 15.0 111.521 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 t -138.28 179.39 6.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.872 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 p -99.31 171.42 7.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.016 0.436 . . . . 15.0 111.383 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.459 ' HA ' HG22 ' A' ' 26' ' ' ILE . 32.6 mt -68.22 -14.98 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.575 0.703 . . . . 15.0 110.399 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -86.51 -15.79 38.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.653 -0.703 . . . . 15.0 111.392 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -111.97 -23.59 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.86 0.319 . . . . 15.0 111.86 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.459 HG22 ' HA ' ' A' ' 23' ' ' ILE . 20.6 tt -64.35 121.98 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.483 0.659 . . . . 15.0 111.445 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -115.57 123.97 71.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.832 -0.622 . . . . 15.0 110.072 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.23 152.06 38.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.408 -0.36 . . . . 15.0 110.521 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.75 153.4 23.52 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.105 -0.331 . . . . 15.0 110.105 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.629 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 49.7 t -68.14 145.11 54.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.151 0.501 . . . . 15.0 111.153 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.424 HG23 ' HB2' ' A' ' 55' ' ' ARG . 6.0 p -81.26 -27.5 10.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.823 -0.626 . . . . 15.0 111.3 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -88.63 -62.44 1.49 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.356 0.502 . . . . 15.0 112.356 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.445 ' SG ' ' NZ ' ' A' ' 65' ' ' LYS . 1.7 p -89.61 -9.07 51.09 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.111 0.411 . . . . 15.0 112.111 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 7.1 mptt 61.5 29.24 18.28 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.248 -0.433 . . . . 15.0 111.602 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -85.32 149.1 25.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.599 -0.273 . . . . 15.0 110.43 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -80.22 113.65 18.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.827 -0.435 . . . . 15.0 109.827 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -78.26 131.53 37.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.258 -0.428 . . . . 15.0 111.178 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.6 mt -75.89 154.7 35.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.965 -0.561 . . . . 15.0 109.598 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 39' ' ' ARG . 14.6 ptt180 -54.05 -30.67 48.8 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.279 0.362 . . . . 15.0 111.434 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -56.88 -48.26 78.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.868 -0.605 . . . . 15.0 111.183 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -73.77 -31.16 63.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.022 -0.535 . . . . 15.0 110.422 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.75 -36.6 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.035 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -66.65 -34.29 77.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.819 0.342 . . . . 15.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -25.1 61.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.036 0.446 . . . . 15.0 110.421 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -62.88 -34.87 78.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.661 -0.699 . . . . 15.0 110.129 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.74 -26.97 27.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.728 -0.669 . . . . 15.0 110.611 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -40.6 83.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.698 -0.683 . . . . 15.0 110.732 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -93.94 178.09 5.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 15.0 109.997 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -95.4 93.29 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.129 0.49 . . . . 15.0 109.992 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.9 mt -135.86 159.31 42.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.688 -0.687 . . . . 15.0 110.682 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.0 m -122.75 154.36 38.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.036 -0.529 . . . . 15.0 109.72 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.41 HD11 ' HA ' ' A' ' 12' ' ' LEU . 44.0 mt -80.79 126.3 39.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.11 0.481 . . . . 15.0 110.846 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.73 124.66 43.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.501 -0.772 . . . . 15.0 109.843 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -103.79 110.07 22.03 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.876 0.37 . . . . 15.0 111.485 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.436 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 4.2 tmm_? -92.85 116.36 28.96 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.731 -0.84 . . . . 15.0 108.731 178.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 23.8 t70 73.67 -60.2 0.54 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.992 0.807 . . . . 15.0 110.675 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.39 28.81 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.367 -0.693 . . . . 15.0 111.367 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -128.16 149.59 71.57 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 109.688 -0.486 . . . . 15.0 109.688 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.63 118.12 5.34 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.539 2.159 . . . . 15.0 112.973 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 55' ' ' ARG . 70.0 m-85 -122.43 158.51 29.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.904 -0.589 . . . . 15.0 109.772 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -122.26 -173.12 2.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.549 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.2 t -129.65 119.17 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.07 -0.514 . . . . 15.0 109.637 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 7.1 p -78.55 171.39 15.18 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.376 -0.231 . . . . 15.0 110.376 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -53.71 -37.17 63.02 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.002 0.371 . . . . 15.0 112.002 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.445 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -65.06 -57.11 9.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.894 0.378 . . . . 15.0 111.275 -179.138 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.0 m -70.84 -20.96 62.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.102 -0.499 . . . . 15.0 111.323 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.034 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 . . . . . 0 C--O 1.234 0.286 0 CA-C-O 121.253 0.549 . . . . 15.0 110.601 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.44 174.45 12.81 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.827 2.351 . . . . 15.0 112.555 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -100.88 -12.3 19.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.352 -0.385 . . . . 15.0 111.742 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -105.57 137.66 43.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.718 0.294 . . . . 15.0 110.934 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 27.8 tp -56.18 -50.54 86.91 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 115.86 -0.609 . . . . 15.0 112.211 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.7 Cg_endo -53.2 -38.5 81.43 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.149 1.899 . . . . 15.0 112.237 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -71.08 -38.58 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 15.0 110.218 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.448 HD22 HD13 ' B' ' 52' ' ' ILE . 33.4 tp -61.83 -36.21 80.51 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.115 -0.493 . . . . 15.0 109.813 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 54.7 m -62.25 -39.95 94.55 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.588 -0.733 . . . . 15.0 110.025 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -65.26 -41.75 93.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.06 -0.518 . . . . 15.0 110.635 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.75 -36.02 82.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 15.0 110.38 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.41 -2.79 54.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.526 . . . . 15.0 110.833 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 62.36 42.2 9.34 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.951 -0.568 . . . . 15.0 111.725 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -147.98 -174.4 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.825 -0.435 . . . . 15.0 109.825 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.43 173.47 6.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.952 0.406 . . . . 15.0 111.444 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.443 ' HA ' HG22 ' B' ' 26' ' ' ILE . 13.0 mt -67.91 -7.35 6.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.842 -0.617 . . . . 15.0 111.266 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -95.46 -0.17 52.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.143 -0.48 . . . . 15.0 111.077 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -132.58 -33.5 1.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.158 0.429 . . . . 15.0 112.158 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.443 HG22 ' HA ' ' B' ' 23' ' ' ILE . 18.4 tt -58.48 118.78 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.623 0.725 . . . . 15.0 111.624 -179.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 41.8 mm -104.77 111.03 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.531 -0.759 . . . . 15.0 109.933 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.465 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.1 tp -109.49 147.25 33.23 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.64 -0.504 . . . . 15.0 109.64 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -102.92 158.55 16.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.653 0.263 . . . . 15.0 110.582 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 36.9 t -77.48 142.8 38.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.256 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 p -75.83 -25.31 17.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.041 -0.527 . . . . 15.0 111.272 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -98.49 -64.13 1.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.684 0.253 . . . . 15.0 111.684 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . 0.451 ' HB2' ' HG2' ' B' ' 35' ' ' GLN . 0.7 OUTLIER -70.24 -22.07 62.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.313 -0.403 . . . . 15.0 111.853 -178.663 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 44.6 mmtm 65.63 24.26 11.65 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.093 0.473 . . . . 15.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.451 ' HG2' ' HB2' ' B' ' 33' ' ' CYS . 0.0 OUTLIER -94.32 149.8 20.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.236 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -80.81 113.25 18.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.654 -0.869 . . . . 15.0 108.654 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -55.77 131.67 47.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.737 -0.665 . . . . 15.0 112.106 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.407 ' O ' HG23 ' B' ' 42' ' ' VAL . 34.8 mt -73.92 170.22 15.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.352 -0.84 . . . . 15.0 109.859 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -52.46 -45.18 65.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.656 -0.247 . . . . 15.0 111.418 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -62.69 -41.04 98.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.563 -0.29 . . . . 15.0 111.235 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -64.99 -40.89 95.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.797 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 38' ' ' LEU . 54.1 t -67.08 -40.36 85.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 121.243 0.544 . . . . 15.0 109.846 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -63.9 -35.72 81.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.517 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.18 -39.97 90.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.041 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.27 -40.63 86.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.832 -0.622 . . . . 15.0 111.129 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.439 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -81.7 -20.73 38.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.916 0.389 . . . . 15.0 111.573 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -77.19 -26.06 52.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.763 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -107.64 173.73 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.501 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -93.53 88.1 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.799 0.809 . . . . 15.0 109.692 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.614 HD21 HD21 ' B' ' 67' ' ' LEU . 1.2 mp -129.17 162.47 27.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.767 -0.652 . . . . 15.0 111.05 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.02 155.28 31.69 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.282 179.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.448 HD13 HD22 ' B' ' 15' ' ' LEU . 15.9 mt -79.88 129.34 37.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.98 0.419 . . . . 15.0 110.87 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.2 m -95.31 113.88 30.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.945 -0.57 . . . . 15.0 110.042 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -94.47 109.98 21.81 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.899 -0.591 . . . . 15.0 111.037 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -93.23 104.93 17.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.418 -0.956 . . . . 15.0 108.418 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 9.3 t0 70.24 -71.96 0.12 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.0 0.813 . . . . 15.0 110.562 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.98 17.18 0.38 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.059 -0.816 . . . . 15.0 111.059 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.457 ' HB3' ' CE2' ' B' ' 60' ' ' TYR . 2.3 t-20 -117.27 121.84 31.81 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.544 -0.328 . . . . 15.0 110.803 -179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -74.25 101.59 1.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.577 2.184 . . . . 15.0 111.308 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' B' ' 58' ' ' ASN . 47.7 m-85 -101.18 165.2 11.42 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.777 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.465 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -121.59 174.93 6.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.993 -0.549 . . . . 15.0 110.717 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 20.0 t -118.58 115.92 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.949 -0.569 . . . . 15.0 109.945 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 1.2 p -79.67 173.44 12.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.37 -0.377 . . . . 15.0 111.469 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.24 -36.85 73.81 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.28 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 0.1 OUTLIER -60.28 -49.92 75.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.883 -0.599 . . . . 15.0 110.963 -179.49 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 6.5 m -71.99 -31.09 65.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.983 0.421 . . . . 15.0 110.729 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.614 HD21 HD21 ' B' ' 50' ' ' LEU . 12.1 mt -65.16 -41.17 94.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 15.0 112.045 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 11.1 ptmt -67.46 -24.17 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.57 0.224 . . . . 15.0 110.931 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -76.82 -26.27 54.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.344 . . . . 15.0 111.024 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.505 -0.76 . . . . 15.0 111.061 -179.619 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD3' ' OE1' ' A' ' 18' ' ' GLU . 12.2 Cg_exo . . . . . 0 N--CA 1.461 -0.406 0 CA-C-O 120.895 0.29 . . . . 15.0 111.784 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -94.33 -11.25 30.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.942 0.401 . . . . 15.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -109.34 131.13 55.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 15.0 109.919 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.576 ' HA ' HD11 ' A' ' 52' ' ' ILE . 30.7 tp -52.35 -48.22 90.27 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 113.8 1.037 . . . . 15.0 113.8 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.7 Cg_endo -49.66 -34.46 35.0 Favored 'Trans proline' 0 C--N 1.358 1.048 0 C-N-CA 122.84 2.36 . . . . 15.0 113.999 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -87.83 -30.31 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.104 -0.239 . . . . 15.0 111.347 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.514 HD22 HD13 ' A' ' 52' ' ' ILE . 9.8 tp -61.99 -37.77 86.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 15.0 110.543 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.51 ' SG ' HG12 ' A' ' 23' ' ' ILE . 23.8 m -62.31 -35.29 78.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.674 -0.694 . . . . 15.0 110.851 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -66.3 -40.59 90.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.461 . . . . 15.0 111.218 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.472 ' OE1' ' HD3' ' A' ' 9' ' ' PRO . 9.2 mt-10 -65.1 -34.73 79.11 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.001 0.429 . . . . 15.0 110.196 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.24 -0.2 51.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.888 -0.596 . . . . 15.0 110.933 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 59.87 37.84 21.52 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.045 -0.525 . . . . 15.0 111.527 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 t -135.63 -175.91 4.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.113 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 p -118.44 164.74 14.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.71 0.291 . . . . 15.0 111.203 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.51 HG12 ' SG ' ' A' ' 16' ' ' CYS . 8.0 mt -73.2 1.53 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 121.767 0.794 . . . . 15.0 110.119 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -102.43 1.06 34.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.487 -0.779 . . . . 15.0 110.819 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -136.62 -31.89 0.85 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.68 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.462 HG22 ' HA ' ' A' ' 23' ' ' ILE . 20.8 tt -64.49 122.08 14.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.514 0.673 . . . . 15.0 111.096 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.2 mm -111.34 106.68 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.971 -0.558 . . . . 15.0 110.192 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.9 156.13 16.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.119 -0.491 . . . . 15.0 109.951 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -107.61 158.32 17.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.147 -0.479 . . . . 15.0 110.085 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 46.1 t -69.35 143.07 53.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.222 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -73.76 -27.78 23.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.333 -0.394 . . . . 15.0 110.711 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -100.54 -57.54 2.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.173 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 m -69.72 -25.59 63.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.645 -0.252 . . . . 15.0 111.123 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 43.0 mttp 59.35 40.0 21.6 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.343 0.592 . . . . 15.0 110.711 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -119.44 152.94 36.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.542 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -70.49 123.67 22.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.887 0.375 . . . . 15.0 111.575 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.526 HD21 ' HA ' ' A' ' 63' ' ' CYS . 5.4 mp -83.89 133.38 34.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.791 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.529 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . 51.2 mt -72.93 157.6 37.11 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.105 -0.702 . . . . 15.0 109.105 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -57.37 -24.84 57.76 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.88 0.326 . . . . 15.0 111.88 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -60.1 -52.56 64.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.883 0.373 . . . . 15.0 110.621 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.529 ' OE1' ' HB2' ' A' ' 38' ' ' LEU . 1.2 pm0 -75.86 -23.84 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.395 -0.366 . . . . 15.0 110.873 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 38' ' ' LEU . 47.0 t -62.85 -43.63 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.459 -0.571 . . . . 15.0 109.459 178.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -71.14 -36.96 72.26 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.609 -0.515 . . . . 15.0 109.609 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -62.78 -36.95 84.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.315 -0.857 . . . . 15.0 109.831 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -67.75 -45.17 75.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.334 -0.848 . . . . 15.0 110.338 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.08 -13.18 60.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.728 -0.669 . . . . 15.0 111.829 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -72.45 -27.69 62.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.143 0.497 . . . . 15.0 110.282 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -104.52 162.2 13.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.009 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -81.79 62.27 5.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.465 0.65 . . . . 15.0 110.957 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.7 mt -92.06 174.41 7.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.468 -0.787 . . . . 15.0 109.874 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.5 m -132.96 157.91 43.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.851 0.358 . . . . 15.0 110.651 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.576 HD11 ' HA ' ' A' ' 12' ' ' LEU . 72.8 mt -80.71 134.73 26.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.825 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.8 t -99.32 127.15 52.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.883 -0.784 . . . . 15.0 108.883 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -100.3 109.16 21.36 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.184 0.516 . . . . 15.0 111.435 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.44 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 1.5 tmm_? -85.22 105.07 15.65 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.031 -0.729 . . . . 15.0 109.031 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.44 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 9.8 t70 72.47 -57.87 0.61 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.998 0.811 . . . . 15.0 111.432 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.13 34.74 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.536 -0.626 . . . . 15.0 111.536 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -142.64 137.36 15.21 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.687 -0.486 . . . . 15.0 109.687 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -68.02 123.06 10.21 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.764 2.309 . . . . 15.0 113.242 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -126.7 154.0 44.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.641 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.04 -177.08 3.16 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.128 0.489 . . . . 15.0 110.878 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.4 t -115.55 121.01 66.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.485 -0.78 . . . . 15.0 108.988 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.526 ' HA ' HD21 ' A' ' 37' ' ' LEU . 28.4 p -71.6 179.57 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.496 0.665 . . . . 15.0 111.907 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.44 -22.69 65.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.221 -0.9 . . . . 15.0 110.708 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -82.06 -56.68 3.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.513 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 58.4 m -66.83 -16.32 64.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.667 -0.697 . . . . 15.0 112.156 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.235 0.541 . . . . 15.0 112.125 -179.816 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 . . . . . 0 C--O 1.234 0.253 0 CA-C-O 121.208 0.528 . . . . 15.0 110.275 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.36 158.17 54.97 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.661 2.241 . . . . 15.0 112.561 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 -99.57 8.89 44.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.289 -0.414 . . . . 15.0 111.178 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -115.09 133.31 56.15 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.894 -0.409 . . . . 15.0 109.894 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.596 HD23 ' HB2' ' B' ' 46' ' ' ALA . 33.1 tp -54.57 -52.33 70.79 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 113.375 0.88 . . . . 15.0 113.375 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 10.0 Cg_endo -52.7 -39.77 75.53 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.238 1.959 . . . . 15.0 112.912 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -76.0 -33.81 59.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.543 -0.299 . . . . 15.0 110.917 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 tp -65.78 -35.43 80.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.011 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.9 m -59.41 -38.36 80.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.068 0.461 . . . . 15.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -28.82 67.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.05 -0.523 . . . . 15.0 111.7 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -68.71 -29.72 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 15.0 110.987 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.64 12.05 35.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 15.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 53.94 51.47 14.69 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.174 -0.466 . . . . 15.0 111.545 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -148.81 -176.72 5.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.667 0.27 . . . . 15.0 110.774 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.65 172.03 7.63 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.3 mt -56.62 -43.35 78.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 15.0 111.784 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.17 51.82 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.773 0.32 . . . . 15.0 111.569 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -168.86 -39.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.527 . . . . 15.0 110.069 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.3 tt -72.01 129.52 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.06 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 mm -113.73 131.67 64.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.314 -0.403 . . . . 15.0 111.252 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -122.76 149.69 43.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.93 -0.577 . . . . 15.0 109.82 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.33 156.62 16.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.199 -0.297 . . . . 15.0 110.199 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . 0.584 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 6.6 t -70.18 145.03 51.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.381 -0.372 . . . . 15.0 110.375 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.51 -31.59 54.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.501 -0.318 . . . . 15.0 111.422 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.424 ' HD2' ' SG ' ' B' ' 66' ' ' CYS . 35.2 m-85 -102.97 -71.92 0.71 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.674 0.25 . . . . 15.0 111.674 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 23.3 m -63.17 -27.48 69.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.09 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.584 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 40.9 mttp 63.85 29.64 14.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.626 -0.715 . . . . 15.0 111.207 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.406 ' H ' ' HB3' ' B' ' 30' ' ' CYS . 2.3 pt20 -80.14 150.49 30.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.169 -0.678 . . . . 15.0 109.169 178.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -77.59 103.79 7.74 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.112 -0.329 . . . . 15.0 110.112 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -61.58 122.91 16.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 15.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 42' ' ' VAL . 51.6 mt -73.24 168.26 19.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.666 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -54.13 -28.92 42.91 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.264 -0.426 . . . . 15.0 111.966 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' B' ' 40' ' ' ARG . 6.6 ttp85 -68.62 -47.22 67.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.763 0.316 . . . . 15.0 110.47 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -65.57 -41.96 92.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 15.0 110.332 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 38' ' ' LEU . 40.0 t -62.97 -38.41 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 115.914 -0.585 . . . . 15.0 110.503 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -39.6 86.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.004 -0.544 . . . . 15.0 110.553 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -36.5 82.03 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.559 -0.534 . . . . 15.0 109.559 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -68.14 -46.0 72.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.467 -0.788 . . . . 15.0 110.433 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.596 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -71.85 -15.53 62.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.43 -178.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -67.52 -19.87 65.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.919 0.39 . . . . 15.0 111.455 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -133.8 175.63 9.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.144 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -92.53 86.09 5.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.31 0.576 . . . . 15.0 110.143 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 mt -112.83 147.68 36.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.706 -0.679 . . . . 15.0 110.38 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.21 141.14 28.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.836 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 64.7 mt -80.59 136.16 23.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.055 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.2 m -90.49 123.78 42.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.228 0.537 . . . . 15.0 110.195 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -99.2 111.98 24.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.141 -0.481 . . . . 15.0 110.673 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.487 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -97.81 109.99 22.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.053 -0.721 . . . . 15.0 109.053 179.237 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.487 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 21.3 t70 75.9 -39.78 0.38 Allowed 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.91 0.757 . . . . 15.0 111.54 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.18 -19.12 0.1 Allowed Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.517 -0.633 . . . . 15.0 111.517 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -85.81 141.39 35.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 110.297 -0.26 . . . . 15.0 110.297 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.81 110.49 3.09 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.428 2.085 . . . . 15.0 111.979 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -108.29 152.51 24.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.066 -0.516 . . . . 15.0 110.157 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.87 165.18 11.64 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.084 0.469 . . . . 15.0 111.276 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 t -102.78 112.09 34.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.52 -0.764 . . . . 15.0 109.135 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 17.9 p -75.9 176.0 8.27 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.164 0.507 . . . . 15.0 111.679 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.25 -34.57 68.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.279 -0.873 . . . . 15.0 110.928 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -68.75 -55.29 11.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.758 -0.656 . . . . 15.0 110.993 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . 0.424 ' SG ' ' HD2' ' B' ' 32' ' ' TYR . 36.2 m -70.27 -24.25 63.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.092 -0.504 . . . . 15.0 112.197 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.2 -47.65 82.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 15.0 111.781 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.525 ' HG2' ' H ' ' B' ' 68' ' ' LYS . 2.9 ptpt -80.38 -23.83 40.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.163 -0.471 . . . . 15.0 111.398 -178.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -78.64 -43.96 24.94 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.309 0.485 . . . . 15.0 112.309 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 119.001 -0.523 . . . . 15.0 110.995 -179.28 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo . . . . . 0 CA--C 1.53 0.276 0 CA-C-O 120.59 0.163 . . . . 15.0 111.704 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -108.55 7.33 26.7 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.056 0.391 . . . . 15.0 112.056 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -119.81 139.45 52.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.609 -0.269 . . . . 15.0 111.195 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.5 ' HA ' HD11 ' A' ' 52' ' ' ILE . 30.8 tp -57.68 -53.16 68.57 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 116.027 -0.533 . . . . 15.0 112.426 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.2 Cg_endo -55.42 -39.31 91.76 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.979 1.786 . . . . 15.0 112.065 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -71.08 -43.62 67.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 15.0 110.353 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.8 tp -58.1 -46.41 85.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.032 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.8 m -59.1 -45.91 89.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.033 0.444 . . . . 15.0 110.267 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.1 m -62.04 -42.33 99.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.736 -0.665 . . . . 15.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.65 -29.83 68.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.937 0.398 . . . . 15.0 110.823 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.85 -0.12 37.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.854 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 65.82 32.34 8.85 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.883 -0.599 . . . . 15.0 110.885 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.52 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 14.1 t -140.65 -170.03 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.386 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.5 p -120.05 178.19 4.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.809 0.338 . . . . 15.0 110.652 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -76.23 3.44 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.425 0.631 . . . . 15.0 111.203 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -109.76 2.18 19.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.266 -0.425 . . . . 15.0 110.209 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.52 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 33.9 t70 -132.92 -19.61 2.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 15.0 111.664 -178.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.0 tt -59.9 131.76 24.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 121.198 0.523 . . . . 15.0 111.282 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.8 mm -103.02 108.44 24.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.927 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.1 mp -127.42 146.52 50.45 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.992 -0.374 . . . . 15.0 109.992 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 5.2 pt-20 -116.91 162.2 18.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.852 0.358 . . . . 15.0 111.213 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 45.1 t -70.02 144.03 52.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.668 . . . . 15.0 111.043 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.439 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 7.5 p -78.51 -24.34 13.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.407 -0.815 . . . . 15.0 110.958 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -100.64 -44.0 5.98 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.001 0.371 . . . . 15.0 112.001 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.5 m -88.8 -19.56 25.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.288 0.477 . . . . 15.0 112.288 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.4 tptp 61.13 31.91 19.65 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.798 0.809 . . . . 15.0 109.929 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.68 135.58 53.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.184 -0.916 . . . . 15.0 109.898 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.483 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 24.4 mp0 -60.43 131.8 51.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.905 0.383 . . . . 15.0 111.088 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -80.4 148.4 30.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.957 -0.565 . . . . 15.0 110.429 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.635 ' HB2' ' OE2' ' A' ' 41' ' ' GLU . 78.2 mt -86.77 162.77 17.66 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.539 -0.541 . . . . 15.0 109.539 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 39' ' ' ARG . 13.7 ttm180 -57.93 -20.51 38.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.906 0.706 . . . . 15.0 112.906 -178.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.411 ' H ' ' HG3' ' A' ' 40' ' ' ARG . 1.9 mtm180 -73.02 -52.17 15.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.931 0.396 . . . . 15.0 110.846 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.635 ' OE2' ' HB2' ' A' ' 38' ' ' LEU . 1.7 pm0 -70.26 -26.37 63.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.154 -0.475 . . . . 15.0 110.787 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 38' ' ' LEU . 82.7 t -64.72 -36.65 78.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 108.727 -0.842 . . . . 15.0 108.727 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -64.76 -41.63 95.74 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.457 -0.792 . . . . 15.0 109.435 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -61.09 -38.0 84.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.382 -0.827 . . . . 15.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -62.41 -35.49 79.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.49 -23.35 24.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.28 -0.418 . . . . 15.0 111.406 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -76.15 -27.19 56.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.263 0.554 . . . . 15.0 110.556 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -107.16 165.33 11.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.187 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -84.48 93.22 8.27 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.489 -0.56 . . . . 15.0 109.489 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.7 mt -140.99 157.57 45.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.972 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.9 m -116.96 160.78 20.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.763 -0.653 . . . . 15.0 109.658 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' A' ' 12' ' ' LEU . 16.9 mt -81.21 135.89 24.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.667 0.27 . . . . 15.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -91.5 113.56 27.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.081 -0.711 . . . . 15.0 109.081 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -99.61 110.1 22.56 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.243 -0.435 . . . . 15.0 111.509 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.5 mmm-85 -107.93 118.56 37.06 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 73.49 -17.93 0.41 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.984 0.802 . . . . 15.0 111.844 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 132.41 -7.71 5.32 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.844 -0.693 . . . . 15.0 112.292 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.448 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 41.5 m-80 -94.12 145.32 29.57 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 110.334 -0.247 . . . . 15.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 5.2 Cg_exo -78.31 113.69 3.41 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.643 2.228 . . . . 15.0 112.285 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.439 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 78.3 m-85 -116.96 140.67 49.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.043 0.449 . . . . 15.0 110.304 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -108.77 179.98 4.03 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 4.4 t -121.72 117.75 53.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.053 -0.721 . . . . 15.0 109.053 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.59 173.35 9.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.961 0.41 . . . . 15.0 111.146 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -54.99 -37.03 66.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.61 -0.723 . . . . 15.0 111.773 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -59.35 5.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.862 -0.608 . . . . 15.0 112.033 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.461 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -71.81 -27.64 63.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.433 0.531 . . . . 15.0 112.433 -178.243 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.329 -0.324 0 N-CA-C 112.148 0.425 . . . . 15.0 112.148 -179.801 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 120.512 0.196 . . . . 15.0 110.484 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.6 176.95 9.42 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.49 2.127 . . . . 15.0 112.294 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 60.5 mmt-85 -108.12 0.96 21.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.273 -0.421 . . . . 15.0 110.373 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -99.82 119.9 38.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.758 -0.655 . . . . 15.0 109.946 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 22.5 tp -55.76 -50.67 85.76 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 112.855 0.687 . . . . 15.0 112.855 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.3 Cg_endo -54.83 -34.54 85.64 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.222 1.948 . . . . 15.0 112.856 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -83.15 -29.67 28.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.321 . . . . 15.0 110.708 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.443 HD22 HD13 ' B' ' 52' ' ' ILE . 24.8 tp -63.38 -35.49 80.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.271 0.558 . . . . 15.0 110.024 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 35.2 m -63.55 -40.14 96.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.707 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -60.37 -39.61 87.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.316 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.73 -22.99 62.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.137 0.494 . . . . 15.0 111.058 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.0 mt -96.58 5.05 51.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.951 -0.568 . . . . 15.0 110.286 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 59.56 37.13 22.82 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.693 -0.685 . . . . 15.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.428 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 14.6 t -140.61 -171.7 3.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.165 -0.47 . . . . 15.0 110.789 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.9 p -126.49 177.77 6.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.46 -0.337 . . . . 15.0 110.633 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 10.3 mt -71.53 -7.13 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.648 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -96.11 -8.5 33.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 15.0 111.191 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.428 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 13.6 t70 -124.42 -36.97 2.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.018 0.377 . . . . 15.0 112.018 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -47.7 129.05 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 121.192 0.52 . . . . 15.0 111.668 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 31.8 mm -106.55 116.27 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.704 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.471 HD23 ' HB2' ' B' ' 61' ' ' ALA . 2.2 mp -123.33 144.56 49.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 15.0 109.399 178.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -110.7 164.88 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.499 -0.319 . . . . 15.0 110.16 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 52.8 t -67.79 140.16 56.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.327 . . . . 15.0 110.518 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.8 p -71.96 -20.42 20.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.469 -0.332 . . . . 15.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -104.3 -51.19 3.17 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.991 0.367 . . . . 15.0 111.991 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 57.3 m -82.98 -24.61 32.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.688 -0.233 . . . . 15.0 111.533 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 2.4 mptm? 65.34 21.71 11.97 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.711 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -98.12 154.53 17.67 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.627 -0.508 . . . . 15.0 109.627 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -64.39 127.92 33.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.894 0.378 . . . . 15.0 111.161 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.48 142.43 37.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.64 . . . . 15.0 110.963 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.476 ' O ' HG23 ' B' ' 42' ' ' VAL . 45.4 mt -72.95 142.29 47.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.921 -0.77 . . . . 15.0 108.921 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -54.1 -34.94 61.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 15.0 111.497 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -62.28 -41.29 98.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 15.0 110.97 179.288 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -72.95 -27.77 62.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.345 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 38' ' ' LEU . 60.2 t -63.04 -34.55 67.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 109.385 -0.598 . . . . 15.0 109.385 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . 0.497 ' O ' ' HB2' ' B' ' 47' ' ' PHE . 25.7 m-85 -68.97 -37.03 78.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.062 179.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -66.29 -39.35 89.32 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.333 0.587 . . . . 15.0 109.793 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -61.86 -42.37 98.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.38 -0.827 . . . . 15.0 110.642 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.29 -13.05 53.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 15.0 111.226 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . 0.497 ' HB2' ' O ' ' B' ' 43' ' ' TYR . 11.1 t80 -77.52 -44.93 27.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.485 . . . . 15.0 109.985 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.458 HH22 ' HB3' ' B' ' 67' ' ' LEU . 6.1 mtt180 -88.38 -160.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.659 -0.7 . . . . 15.0 109.881 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -117.27 89.38 3.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.219 0.533 . . . . 15.0 110.23 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -132.56 138.3 47.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.593 -0.73 . . . . 15.0 109.537 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 56.9 m -91.19 161.35 15.11 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.199 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.443 HD13 HD22 ' B' ' 15' ' ' LEU . 65.5 mt -79.36 129.04 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.904 0.383 . . . . 15.0 110.777 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.78 113.83 27.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.619 -0.719 . . . . 15.0 110.014 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -94.88 109.91 21.85 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.56 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.25 102.85 14.89 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.805 -0.813 . . . . 15.0 108.805 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 t0 68.27 -83.91 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.918 -1.037 . . . . 15.0 111.403 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.61 20.26 3.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.441 -0.885 . . . . 15.0 112.809 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -133.21 134.14 23.8 Favored Pre-proline 0 C--N 1.323 -0.572 0 O-C-N 122.535 -0.391 . . . . 15.0 110.988 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.86 122.61 9.26 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.697 2.265 . . . . 15.0 112.558 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -122.84 163.39 20.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.138 -0.483 . . . . 15.0 109.885 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.471 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -118.87 -172.35 2.27 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.163 0.506 . . . . 15.0 110.804 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 6.7 t -115.52 120.76 65.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.756 -0.656 . . . . 15.0 109.576 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 28.2 p -78.83 169.64 17.91 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.118 -0.233 . . . . 15.0 110.728 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -48.48 -37.04 16.34 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.608 0.596 . . . . 15.0 112.608 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.4 -59.69 4.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.618 -0.265 . . . . 15.0 111.45 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -28.11 61.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.459 -0.337 . . . . 15.0 111.762 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.458 ' HB3' HH22 ' B' ' 48' ' ' ARG . 8.4 mt -52.21 -47.3 65.72 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.675 0.62 . . . . 15.0 112.675 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.407 ' H ' ' HG2' ' B' ' 68' ' ' LYS . 24.9 pttt -81.27 -24.85 37.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.61 0.243 . . . . 15.0 111.646 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -78.03 -27.97 48.95 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.416 0.525 . . . . 15.0 112.416 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 117.935 -1.031 . . . . 15.0 111.483 -178.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.23 0.109 0 CA-C-O 120.882 0.284 . . . . 15.0 112.341 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 51' ' ' CYS . 25.4 mmt180 -91.08 -18.82 23.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.303 -0.408 . . . . 15.0 111.13 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -85.16 131.31 34.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.64 0.257 . . . . 15.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 59.4 tp -56.18 -50.59 86.62 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.972 -0.558 . . . . 15.0 111.961 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.2 Cg_endo -54.98 -35.16 89.21 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.125 1.883 . . . . 15.0 112.338 179.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -69.48 -44.81 70.4 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.396 -0.365 . . . . 15.0 110.604 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.61 HD22 HD13 ' A' ' 52' ' ' ILE . 34.1 tp -57.83 -34.39 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.955 -0.387 . . . . 15.0 109.955 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.8 m -64.26 -49.72 70.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.706 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 p -66.04 -40.45 90.98 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.872 0.367 . . . . 15.0 111.342 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.33 -32.62 71.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.273 -0.422 . . . . 15.0 111.047 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.561 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -84.62 -4.31 58.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.862 0.363 . . . . 15.0 110.25 179.341 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 63.46 46.3 4.39 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.466 -0.788 . . . . 15.0 110.823 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.436 HG22 ' HB3' ' A' ' 19' ' ' LEU . 12.9 t -152.03 -170.7 3.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.999 -0.546 . . . . 15.0 110.447 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -123.73 -179.86 4.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.708 0.289 . . . . 15.0 111.081 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.421 ' H ' HG13 ' A' ' 23' ' ' ILE . 3.4 mt -73.08 0.16 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 15.0 111.336 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -105.13 -5.64 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.757 0.313 . . . . 15.0 111.043 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.407 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 31.8 t70 -133.77 -8.77 2.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.963 0.411 . . . . 15.0 111.515 -178.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 tt -63.19 121.36 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.61 0.719 . . . . 15.0 111.545 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.5 mm -84.64 94.66 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.687 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.547 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.2 tp -122.99 128.19 49.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.728 -0.669 . . . . 15.0 109.641 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -115.37 171.68 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.94 -0.573 . . . . 15.0 110.599 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 39.3 t -67.43 142.26 56.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.321 0.581 . . . . 15.0 111.055 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.43 -20.54 12.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.617 -0.72 . . . . 15.0 110.524 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -101.57 -70.7 0.74 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.674 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.6 m -73.17 -14.38 61.35 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.342 0.497 . . . . 15.0 112.342 -177.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 39.1 mmtm 64.84 22.36 12.5 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.579 0.549 . . . . 15.0 111.784 178.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.405 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 6.5 pt20 -88.04 142.95 27.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.626 -0.509 . . . . 15.0 109.626 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -72.54 126.06 28.95 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.184 -0.302 . . . . 15.0 110.184 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.37 145.69 54.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.013 -0.54 . . . . 15.0 111.467 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.7 tp -82.66 162.0 21.99 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.383 -0.599 . . . . 15.0 109.383 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.466 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 12.2 ttp85 -47.19 -41.68 18.49 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 122.805 0.442 . . . . 15.0 112.168 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -68.21 -46.51 70.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.618 -0.264 . . . . 15.0 111.659 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.535 ' OE1' ' HB3' ' A' ' 38' ' ' LEU . 9.1 mp0 -58.7 -36.98 75.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.101 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 38' ' ' LEU . 16.3 t -65.74 -38.05 81.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.018 0.437 . . . . 15.0 110.005 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.453 ' HE2' ' NH1' ' A' ' 39' ' ' ARG . 21.6 m-30 -71.4 -33.97 69.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 15.0 109.828 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.89 -30.33 71.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.471 0.653 . . . . 15.0 109.81 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.97 -38.04 72.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.946 -1.025 . . . . 15.0 110.5 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.91 -24.09 59.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.401 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.412 ' HZ ' ' HB3' ' B' ' 46' ' ' ALA . 0.2 OUTLIER -74.26 -20.31 60.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.786 -179.603 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.0 mtt85 -111.93 168.39 9.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.59 -0.277 . . . . 15.0 110.359 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.2 -4.07 58.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.952 0.406 . . . . 15.0 110.797 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.5 109.21 0.47 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.59 -0.732 . . . . 15.0 111.109 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 29.5 p -68.98 -171.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 15.0 111.767 -178.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.61 HD13 HD22 ' A' ' 15' ' ' LEU . 29.7 mt -87.9 140.03 16.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.633 -0.712 . . . . 15.0 109.684 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -103.07 113.55 40.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.412 0.625 . . . . 15.0 109.853 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -94.97 111.51 23.3 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.699 -0.682 . . . . 15.0 111.377 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.39 110.82 23.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.988 -0.745 . . . . 15.0 108.988 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t0 70.09 -73.16 0.1 Allowed 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.972 0.795 . . . . 15.0 110.496 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.39 22.31 0.22 Allowed Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.212 -0.755 . . . . 15.0 111.212 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -118.75 131.81 24.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.473 0.177 . . . . 15.0 111.127 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -76.32 103.24 1.71 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.595 2.196 . . . . 15.0 111.496 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -115.72 168.21 10.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.46 0.648 . . . . 15.0 111.028 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.547 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -126.39 -168.44 1.86 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.481 -0.781 . . . . 15.0 109.908 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 47.2 t -135.69 120.26 26.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.763 -0.458 . . . . 15.0 109.763 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.61 174.14 10.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.931 0.396 . . . . 15.0 110.862 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -50.87 -33.74 25.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.978 1.103 . . . . 15.0 113.978 -177.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -62.98 1.42 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.748 -0.381 . . . . 15.0 111.697 -177.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.476 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -76.28 -25.78 55.26 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.057 0.391 . . . . 15.0 112.057 -179.132 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 16.7 tp . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 112.762 0.652 . . . . 15.0 112.762 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 120.94 0.4 . . . . 15.0 111.515 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.79 165.06 33.81 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.618 2.212 . . . . 15.0 112.154 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.88 7.61 41.17 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.941 0.348 . . . . 15.0 111.941 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -119.43 131.16 55.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.747 0.308 . . . . 15.0 110.691 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.585 ' HA ' HD11 ' B' ' 52' ' ' ILE . 28.6 tp -54.39 -51.27 79.5 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 113.29 0.848 . . . . 15.0 113.29 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.6 Cg_endo -54.2 -33.98 77.18 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.249 1.966 . . . . 15.0 112.554 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -81.89 -27.49 33.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.712 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.537 HD22 HD13 ' B' ' 52' ' ' ILE . 42.7 tp -68.4 -33.95 75.16 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 179.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . 0.602 ' SG ' HG12 ' B' ' 23' ' ' ILE . 39.0 m -61.15 -35.28 76.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.538 -0.755 . . . . 15.0 110.095 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -33.87 76.58 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.722 -0.672 . . . . 15.0 110.659 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.82 -32.77 74.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.329 0.585 . . . . 15.0 109.653 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 mt -88.54 1.67 54.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.446 -0.797 . . . . 15.0 110.088 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 55.76 39.83 30.77 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.66 -0.7 . . . . 15.0 111.033 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -143.45 -173.51 3.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.065 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -105.2 171.94 7.05 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.491 0.186 . . . . 15.0 110.686 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.602 HG12 ' SG ' ' B' ' 16' ' ' CYS . 10.4 mt -68.2 -12.93 16.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.644 0.735 . . . . 15.0 110.145 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -83.28 -5.11 59.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.36 -0.836 . . . . 15.0 111.479 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -128.99 -10.64 4.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.898 0.38 . . . . 15.0 111.834 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 20.5 tt -69.73 134.84 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.268 0.556 . . . . 15.0 110.987 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -117.16 113.45 42.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.576 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -127.88 145.57 50.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.405 -0.361 . . . . 15.0 110.032 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -107.69 160.57 15.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.704 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.65 141.9 57.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.948 0.404 . . . . 15.0 110.779 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.401 ' HA ' ' CD2' ' B' ' 60' ' ' TYR . 5.2 p -65.04 -33.43 63.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.441 -0.8 . . . . 15.0 112.108 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -110.2 -36.88 5.71 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.714 0.635 . . . . 15.0 112.714 -178.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 m -83.88 -20.77 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.741 0.305 . . . . 15.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 mptt 59.79 24.36 13.33 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.97 -0.559 . . . . 15.0 111.102 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -100.19 139.01 36.48 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.402 -0.592 . . . . 15.0 109.402 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -66.2 125.74 26.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.991 0.424 . . . . 15.0 110.539 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -75.41 129.48 37.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.846 -0.616 . . . . 15.0 110.439 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 54.8 mt -64.21 141.13 58.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.742 -0.466 . . . . 15.0 109.742 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' B' ' 40' ' ' ARG . 0.2 OUTLIER -45.01 -38.96 5.2 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.762 0.652 . . . . 15.0 112.762 -178.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.402 ' N ' ' HG3' ' B' ' 39' ' ' ARG . 13.9 ttp180 -61.8 -48.42 80.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.671 0.272 . . . . 15.0 111.493 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.48 -31.71 70.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 15.0 110.379 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.11 -37.69 74.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.815 -0.63 . . . . 15.0 110.959 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -70.08 -33.92 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 15.0 110.646 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -27.42 63.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.166 0.508 . . . . 15.0 109.856 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -68.02 -37.87 81.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.287 -0.869 . . . . 15.0 110.041 178.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.502 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -83.96 -23.97 30.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.864 -0.607 . . . . 15.0 111.242 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.09 -22.6 60.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.361 0.601 . . . . 15.0 109.763 179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -102.97 155.14 18.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.507 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -80.8 78.87 7.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.321 0.582 . . . . 15.0 110.909 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mp -114.51 179.59 3.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.02 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 1.1 p -131.18 154.41 48.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.502 -0.317 . . . . 15.0 110.477 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.585 HD11 ' HA ' ' B' ' 12' ' ' LEU . 51.1 mt -82.18 127.67 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.442 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' B' ' 60' ' ' TYR . 0.0 OUTLIER -91.2 112.88 25.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 116.011 -0.541 . . . . 15.0 109.997 179.192 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -94.34 110.9 22.63 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.224 0.535 . . . . 15.0 110.396 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -105.31 107.09 17.9 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.541 -0.754 . . . . 15.0 109.406 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.1 t0 70.08 22.96 5.47 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.655 -0.702 . . . . 15.0 111.013 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.04 -25.74 20.44 Favored Glycine 0 CA--C 1.51 -0.226 0 C-N-CA 120.886 -0.674 . . . . 15.0 113.032 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -75.0 140.76 74.08 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.712 0.291 . . . . 15.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.85 119.78 6.27 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.521 2.147 . . . . 15.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 71.7 m-85 -125.32 155.12 40.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.888 -0.596 . . . . 15.0 109.727 179.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.93 179.21 4.05 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.187 -0.46 . . . . 15.0 109.986 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 14.1 t -114.7 115.61 50.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.635 -0.505 . . . . 15.0 109.635 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 27.4 p -72.3 170.21 14.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.135 -0.32 . . . . 15.0 110.135 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.535 ' O ' ' HE2' ' B' ' 68' ' ' LYS . 31.3 t70 -57.84 -32.9 68.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.8 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -70.62 -57.09 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.759 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . 0.549 ' HA ' ' HB2' ' B' ' 69' ' ' PHE . 69.3 m -65.66 -26.22 67.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.517 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 0.3 OUTLIER -52.24 -55.0 24.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 15.0 111.316 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.535 ' HE2' ' O ' ' B' ' 64' ' ' ASP . 4.0 pttt -80.98 -12.88 59.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.005 -0.543 . . . . 15.0 111.428 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . 0.549 ' HB2' ' HA ' ' B' ' 66' ' ' CYS . 1.8 m-85 -76.76 -49.02 16.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.755 0.312 . . . . 15.0 111.531 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.428 -0.796 . . . . 15.0 111.408 -178.473 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo . . . . . 0 N--CA 1.46 -0.489 0 CA-C-O 120.753 0.23 . . . . 15.0 111.537 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -88.17 -1.27 57.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.696 -0.229 . . . . 15.0 111.344 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -110.74 130.34 55.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.9 0.381 . . . . 15.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.584 HD23 ' HB2' ' A' ' 46' ' ' ALA . 19.6 tp -55.18 -49.57 91.54 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.539 -0.755 . . . . 15.0 112.825 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 9.7 Cg_endo -53.2 -33.74 66.11 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.301 2.001 . . . . 15.0 112.733 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -85.13 -30.5 23.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.574 -0.285 . . . . 15.0 111.01 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.651 HD22 HD13 ' A' ' 52' ' ' ILE . 39.5 tp -61.05 -37.82 83.96 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.163 0.506 . . . . 15.0 110.368 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.694 ' SG ' HG12 ' A' ' 23' ' ' ILE . 47.1 m -60.3 -33.95 73.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.49 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.5 m -67.65 -40.41 84.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.136 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.0 -40.4 87.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.607 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.41 -3.5 50.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 15.0 110.942 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 59.57 50.13 7.71 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.93 -0.577 . . . . 15.0 111.334 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -155.15 -174.01 4.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.403 -0.362 . . . . 15.0 110.303 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.8 p -107.74 169.07 8.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 15.0 111.198 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.694 HG12 ' SG ' ' A' ' 16' ' ' CYS . 1.9 mt -75.38 1.71 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.308 0.575 . . . . 15.0 110.643 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -108.0 9.07 28.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.989 -0.55 . . . . 15.0 110.157 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -132.98 -37.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 15.0 111.624 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.6 tt -65.06 128.4 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.509 0.671 . . . . 15.0 112.253 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.1 119.78 62.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.021 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -106.32 160.95 14.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.73 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -118.98 153.88 33.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.014 -0.539 . . . . 15.0 109.666 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 37.9 t -67.43 145.16 55.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.127 0.489 . . . . 15.0 111.271 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.499 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 7.5 p -71.96 -29.84 34.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.62 -0.718 . . . . 15.0 111.664 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -103.37 -46.12 4.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.171 0.434 . . . . 15.0 112.171 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.09 -25.49 36.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.715 0.265 . . . . 15.0 111.715 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.1 mptt 63.5 22.21 13.1 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.192 0.52 . . . . 15.0 111.265 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -95.82 147.43 23.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.0 -0.546 . . . . 15.0 109.788 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -73.31 126.97 31.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.998 0.427 . . . . 15.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.56 138.98 43.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.788 -0.642 . . . . 15.0 109.781 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.7 mt -74.7 157.86 34.55 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.071 -0.513 . . . . 15.0 109.983 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -52.76 -35.01 55.65 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.983 0.42 . . . . 15.0 110.974 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -63.99 -39.99 95.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.348 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.12 -33.22 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 15.0 110.93 -178.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.1 t -57.48 -40.58 75.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.746 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -70.97 -35.04 71.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -67.22 -38.67 85.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.194 0.521 . . . . 15.0 109.783 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -65.84 -35.09 79.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.324 -0.853 . . . . 15.0 110.93 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -82.93 -33.63 26.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.826 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -69.23 -35.87 76.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.902 0.382 . . . . 15.0 110.669 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -90.14 155.01 19.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.389 -0.597 . . . . 15.0 109.389 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -82.08 79.81 8.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.511 0.672 . . . . 15.0 110.568 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mp -112.79 171.44 7.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.506 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 68.7 m -129.76 149.56 51.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.908 0.385 . . . . 15.0 110.739 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.651 HD13 HD22 ' A' ' 15' ' ' LEU . 65.4 mt -84.2 136.51 22.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.754 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.468 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -111.89 119.64 60.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.968 -0.56 . . . . 15.0 109.567 179.441 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -94.78 110.26 22.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.964 0.411 . . . . 15.0 111.163 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -84.17 114.05 21.51 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.613 -0.884 . . . . 15.0 108.613 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.0 t70 71.45 -71.01 0.14 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.024 0.827 . . . . 15.0 110.734 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.07 44.03 0.18 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.305 -0.718 . . . . 15.0 111.305 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.411 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 1.3 m-20 -142.33 147.64 44.34 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 110.099 -0.334 . . . . 15.0 110.099 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.411 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 57.8 Cg_endo -73.85 109.76 2.94 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.333 2.022 . . . . 15.0 112.326 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.499 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 59.8 m-85 -116.58 139.75 50.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.914 -0.585 . . . . 15.0 109.52 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.91 -176.07 2.94 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.352 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 t -115.15 118.15 57.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.034 -0.53 . . . . 15.0 109.575 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 24.6 p -74.02 174.85 8.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.399 -0.364 . . . . 15.0 110.068 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.2 -15.66 63.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.046 0.451 . . . . 15.0 110.206 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.44 ' HB2' ' SG ' ' A' ' 63' ' ' CYS . 3.7 mtpm? -78.63 -57.17 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 15.0 109.752 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 33.8 m -72.95 -15.18 61.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.651 -0.704 . . . . 15.0 111.617 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 5.5 tp . . . . . 0 CA--C 1.536 0.412 0 CA-C-N 115.687 -0.688 . . . . 15.0 112.265 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.467 ' HB3' ' OH ' ' B' ' 54' ' ' TYR . 15.0 mtm180 . . . . . 0 C--O 1.234 0.27 0 CA-C-O 120.908 0.385 . . . . 15.0 111.155 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -65.21 152.18 83.0 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.595 2.197 . . . . 15.0 111.638 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -92.03 18.97 7.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.856 0.36 . . . . 15.0 111.306 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -122.87 128.62 50.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.967 -0.561 . . . . 15.0 109.899 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.49 HD21 HG13 ' B' ' 42' ' ' VAL . 7.1 tp -52.49 -51.88 68.73 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 113.864 1.061 . . . . 15.0 113.864 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 7.5 Cg_endo -52.16 -45.57 38.31 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.198 1.932 . . . . 15.0 112.718 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -72.26 -28.65 63.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.753 0.311 . . . . 15.0 111.252 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 tp -69.01 -34.21 74.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 15.0 110.276 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 62.3 m -59.49 -35.28 73.81 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.912 -0.585 . . . . 15.0 110.704 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -30.17 69.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.217 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -71.24 -34.6 70.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.424 0.631 . . . . 15.0 109.792 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 mt -86.7 -1.76 57.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.232 -0.894 . . . . 15.0 110.697 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 60.48 38.64 19.03 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.646 -0.706 . . . . 15.0 111.532 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.405 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 14.8 t -139.62 -169.97 2.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.101 -0.499 . . . . 15.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -115.86 175.58 5.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.491 -0.322 . . . . 15.0 110.885 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 20.9 mt -72.67 -7.46 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.37 0.605 . . . . 15.0 111.263 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -99.31 -4.89 30.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.157 -0.34 . . . . 15.0 110.798 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.405 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 34.3 t70 -129.28 -10.67 4.66 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 111.892 0.331 . . . . 15.0 111.892 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 11.2 tt -65.16 122.2 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.327 0.584 . . . . 15.0 110.915 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.0 mm -106.21 105.82 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.949 -0.569 . . . . 15.0 110.473 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tp -123.32 138.18 54.67 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -97.71 166.2 11.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.99 0.424 . . . . 15.0 111.2 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 41.5 t -73.93 144.07 45.45 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.599 -0.728 . . . . 15.0 109.925 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.794 HG13 ' HD1' ' B' ' 32' ' ' TYR . 2.5 p -71.43 -24.52 23.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.758 -0.655 . . . . 15.0 111.13 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.794 ' HD1' HG13 ' B' ' 31' ' ' VAL . 26.0 m-85 -108.2 -55.16 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.726 0.269 . . . . 15.0 111.726 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 12.1 m -70.28 -23.2 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 15.0 111.79 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 60.23 30.26 19.71 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.995 0.426 . . . . 15.0 111.637 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -111.57 151.51 28.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.009 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -70.12 127.36 32.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.648 -0.251 . . . . 15.0 110.706 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 mp -77.04 136.42 38.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.297 -0.41 . . . . 15.0 110.036 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.469 ' O ' ' HG2' ' B' ' 41' ' ' GLU . 10.2 mp -81.03 169.68 17.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.948 0.404 . . . . 15.0 110.98 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -56.67 -26.68 57.07 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.912 -0.585 . . . . 15.0 112.379 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -67.91 -52.17 39.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.791 0.329 . . . . 15.0 111.424 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' B' ' 38' ' ' LEU . 1.3 pm0 -71.47 -34.34 70.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.411 -0.359 . . . . 15.0 110.977 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.49 HG13 HD21 ' B' ' 12' ' ' LEU . 60.4 t -61.88 -40.55 87.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.48 -45.71 89.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.582 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . 0.429 ' CG ' HH21 ' B' ' 48' ' ' ARG . 4.5 t0 -59.69 -40.37 87.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.762 -0.654 . . . . 15.0 110.919 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.403 ' HB3' HD22 ' B' ' 12' ' ' LEU . 5.2 t80 -65.59 -33.46 75.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.84 -0.618 . . . . 15.0 111.478 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.76 -33.78 22.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.776 0.322 . . . . 15.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -69.36 -47.21 65.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.572 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.429 HH21 ' CG ' ' B' ' 44' ' ' ASP . 27.5 mtm180 -90.14 136.3 33.13 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.622 -0.51 . . . . 15.0 109.622 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -71.44 89.78 0.95 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.053 0.454 . . . . 15.0 111.067 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.602 HD21 HD21 ' B' ' 67' ' ' LEU . 1.1 mp -111.12 -177.88 3.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.751 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 27.9 m -121.7 138.08 54.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 72.9 mt -80.99 132.09 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.306 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.517 HG21 HG11 ' B' ' 31' ' ' VAL . 1.4 m -91.62 136.04 25.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.049 -0.523 . . . . 15.0 109.669 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' B' ' 59' ' ' PRO . 30.9 m-85 -111.05 110.19 20.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.831 0.348 . . . . 15.0 111.457 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.54 103.16 12.66 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.557 -0.905 . . . . 15.0 108.557 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 68.96 -64.27 0.33 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.223 0.952 . . . . 15.0 110.649 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -155.48 -1.72 0.12 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.965 -0.561 . . . . 15.0 112.298 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -102.42 128.24 28.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.723 0.297 . . . . 15.0 111.381 -179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' B' ' 54' ' ' TYR . 60.2 Cg_endo -77.7 116.27 4.0 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.696 2.264 . . . . 15.0 112.177 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -122.91 164.79 17.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.878 0.37 . . . . 15.0 110.149 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.11 169.2 8.7 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.017 0.437 . . . . 15.0 110.791 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 t -104.42 118.76 52.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . 0.68 ' SG ' ' HE3' ' B' ' 65' ' ' LYS . 30.8 p -72.74 172.41 10.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.08 0.467 . . . . 15.0 110.785 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.97 -15.95 62.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.81 -0.632 . . . . 15.0 111.218 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.68 ' HE3' ' SG ' ' B' ' 63' ' ' CYS . 0.0 OUTLIER -81.27 -57.86 3.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.411 . . . . 15.0 110.36 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 6.1 m -69.02 -25.09 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.843 -0.617 . . . . 15.0 111.498 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.602 HD21 HD21 ' B' ' 50' ' ' LEU . 2.0 mt -57.42 -38.46 74.38 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.398 -0.365 . . . . 15.0 111.95 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -79.74 -27.18 40.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.841 0.353 . . . . 15.0 110.984 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -76.51 -47.77 21.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.031 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.776 -0.63 . . . . 15.0 110.616 -179.677 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo . . . . . 0 CA--C 1.529 0.262 0 CA-C-O 120.959 0.316 . . . . 15.0 112.804 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.525 ' HA ' ' OH ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -100.08 9.02 43.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.954 -0.567 . . . . 15.0 111.107 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -111.95 131.53 55.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.308 -0.405 . . . . 15.0 110.034 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.502 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 57.3 tp -53.57 -52.31 68.14 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.828 0.677 . . . . 15.0 112.828 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.2 Cg_endo -55.14 -45.94 36.77 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.128 1.886 . . . . 15.0 112.407 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -65.91 -38.74 89.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.075 -0.511 . . . . 15.0 110.256 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.4 tp -60.59 -42.52 96.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.231 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.9 m -63.83 -35.83 81.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.009 -0.542 . . . . 15.0 109.933 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.5 m -66.05 -38.87 89.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.414 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -75.22 -28.78 60.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.452 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.3 tp -81.22 -6.65 59.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.006 -0.543 . . . . 15.0 109.549 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 62.82 45.28 5.78 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.164 -0.926 . . . . 15.0 111.483 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -152.61 179.23 8.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.388 -0.369 . . . . 15.0 110.466 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.92 165.95 11.68 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.373 -0.376 . . . . 15.0 110.453 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.0 mt -67.37 -10.33 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.383 0.611 . . . . 15.0 110.801 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -90.7 -3.2 57.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.931 -0.577 . . . . 15.0 110.722 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -124.66 -24.47 4.16 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.645 0.609 . . . . 15.0 112.645 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.1 tt -51.8 118.68 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.547 0.689 . . . . 15.0 111.721 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.7 mm -83.35 98.44 5.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.325 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.3 tp -124.52 120.49 32.14 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.173 -0.677 . . . . 15.0 109.173 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -101.16 173.04 6.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.545 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 47.5 t -70.72 142.54 51.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.495 0.664 . . . . 15.0 111.548 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 p -71.57 -25.81 25.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.796 -1.093 . . . . 15.0 110.754 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -107.37 -55.86 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.081 0.4 . . . . 15.0 112.081 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.3 m -68.97 -23.72 64.16 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.874 0.324 . . . . 15.0 111.874 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.0 tptp 62.8 24.94 14.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.113 0.482 . . . . 15.0 110.876 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.04 142.41 36.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.621 -0.511 . . . . 15.0 109.621 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -65.87 132.72 49.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.936 0.398 . . . . 15.0 111.177 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.8 143.79 26.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.48 -0.782 . . . . 15.0 109.924 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.526 ' HB2' ' OE2' ' A' ' 41' ' ' GLU . 54.6 mt -78.68 151.68 32.07 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.008 -0.738 . . . . 15.0 109.008 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.425 ' HD3' ' OH ' ' A' ' 43' ' ' TYR . 2.3 ptp180 -52.85 -27.57 18.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.772 0.656 . . . . 15.0 112.772 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.463 ' H ' ' HG3' ' A' ' 40' ' ' ARG . 4.5 mtm180 -63.02 -52.06 64.38 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.64 0.257 . . . . 15.0 111.199 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.526 ' OE2' ' HB2' ' A' ' 38' ' ' LEU . 1.5 pm0 -71.05 -22.93 62.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.52 -0.309 . . . . 15.0 110.929 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 38' ' ' LEU . 79.5 t -64.62 -34.21 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.083 0.468 . . . . 15.0 109.853 178.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.425 ' OH ' ' HD3' ' A' ' 39' ' ' ARG . 17.3 m-85 -61.43 -28.36 69.21 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.627 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 23.8 m-20 -64.45 -32.19 73.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.78 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.459 ' HB3' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -68.14 -33.66 74.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.98 -0.555 . . . . 15.0 110.695 179.545 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.45 -37.88 17.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.123 -0.489 . . . . 15.0 111.132 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -63.93 -48.8 75.14 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.963 0.411 . . . . 15.0 110.692 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -94.9 162.96 13.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.257 -0.646 . . . . 15.0 109.257 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -88.16 105.15 17.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.01 0.433 . . . . 15.0 110.002 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.6 mt -133.5 174.66 10.18 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.016 -0.538 . . . . 15.0 110.385 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.6 m -121.69 149.47 43.18 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.058 -0.519 . . . . 15.0 109.967 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.3 mt -80.16 126.49 39.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.109 -0.496 . . . . 15.0 109.761 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.63 113.32 26.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.232 0.539 . . . . 15.0 110.936 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.525 ' OH ' ' HA ' ' A' ' 10' ' ' ARG . 37.1 m-85 -95.39 108.35 20.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.949 -0.569 . . . . 15.0 109.558 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -99.15 118.85 36.81 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.321 -0.622 . . . . 15.0 109.321 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 18.5 t70 74.98 -45.84 0.58 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.002 0.814 . . . . 15.0 110.902 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.68 -26.35 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.527 -0.629 . . . . 15.0 111.527 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -81.47 144.7 53.68 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 110.518 -0.179 . . . . 15.0 110.518 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 7.5 Cg_endo -82.39 119.53 3.07 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.387 2.058 . . . . 15.0 111.733 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -121.35 168.98 11.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.193 0.521 . . . . 15.0 110.946 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.47 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -118.77 -171.26 2.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.547 -0.752 . . . . 15.0 110.308 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.53 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 5.5 t -127.66 124.66 63.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.423 -0.584 . . . . 15.0 109.423 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.5 p -78.11 170.15 17.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.168 -0.308 . . . . 15.0 110.168 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -53.93 -33.77 57.7 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.268 0.355 . . . . 15.0 111.916 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -57.05 -60.07 4.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 15.0 111.355 -179.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.53 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -75.23 -29.4 60.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.813 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 112.747 0.647 . . . . 15.0 112.747 -179.2 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.493 ' HB3' ' CZ ' ' B' ' 54' ' ' TYR . 15.1 mtm180 . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.241 0.067 . . . . 15.0 110.854 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.32 159.85 51.51 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.617 2.211 . . . . 15.0 111.75 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -96.87 7.38 46.74 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.276 0.473 . . . . 15.0 112.276 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -118.6 136.02 54.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.815 0.34 . . . . 15.0 110.902 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.526 ' HA ' HD11 ' B' ' 52' ' ' ILE . 40.2 tp -56.67 -55.0 47.78 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 113.103 0.779 . . . . 15.0 113.103 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 12.2 Cg_endo -55.75 -34.5 91.11 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.017 1.811 . . . . 15.0 112.576 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -75.28 -40.88 58.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.694 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.82 -34.19 74.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 15.0 110.898 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 69.2 m -57.18 -37.7 72.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.343 -0.389 . . . . 15.0 111.213 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -64.35 -41.62 96.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.013 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 0.1 OUTLIER -69.24 -34.72 75.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.807 -0.633 . . . . 15.0 110.57 -179.357 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 21.5 mt -84.49 -2.21 56.92 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.952 -0.567 . . . . 15.0 111.57 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 61.71 39.68 13.95 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.02 0.438 . . . . 15.0 111.271 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.473 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 14.8 t -146.52 -168.4 3.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.367 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 45.3 p -126.37 177.06 6.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 15.0 111.21 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.0 mt -65.61 -19.36 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.848 -0.615 . . . . 15.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -86.7 -6.58 58.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 15.0 111.638 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.473 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 31.8 t70 -128.34 -30.87 2.34 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.787 0.662 . . . . 15.0 112.787 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 tt -46.26 125.5 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.467 0.651 . . . . 15.0 112.222 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mm -96.48 109.94 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.64 -0.709 . . . . 15.0 110.05 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.877 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.2 tp -125.72 134.67 51.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.155 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -102.82 159.35 15.56 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.51 -0.552 . . . . 15.0 109.51 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 53.3 t -67.82 143.67 55.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.027 0.441 . . . . 15.0 109.983 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.66 -23.55 22.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.024 -0.535 . . . . 15.0 111.292 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -110.02 -53.04 2.72 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.093 -0.243 . . . . 15.0 111.439 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -72.62 -25.16 61.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.827 0.346 . . . . 15.0 111.117 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 2.8 mptm? 56.85 32.45 21.43 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.873 -0.603 . . . . 15.0 111.358 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -110.43 165.72 11.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.403 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -65.05 118.57 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.048 -0.523 . . . . 15.0 110.534 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.2 137.95 53.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.278 -0.419 . . . . 15.0 109.92 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 42' ' ' VAL . 0.3 OUTLIER -66.92 136.38 55.27 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.211 -0.663 . . . . 15.0 109.211 179.205 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -54.92 -30.6 58.84 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.161 0.288 . . . . 15.0 111.435 -178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -68.97 -41.23 78.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.689 0.28 . . . . 15.0 110.285 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.42 -27.27 65.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.728 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 38' ' ' LEU . 57.6 t -61.21 -34.23 59.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.296 -0.631 . . . . 15.0 109.296 178.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -71.49 -36.41 71.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.548 -0.751 . . . . 15.0 110.058 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -66.92 -38.01 85.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.557 -0.534 . . . . 15.0 109.557 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -62.56 -33.98 76.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.884 -0.598 . . . . 15.0 110.538 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.463 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -85.96 -17.63 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.689 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -76.5 -49.62 16.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.737 -0.665 . . . . 15.0 109.867 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -89.49 151.4 22.01 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.834 -0.802 . . . . 15.0 108.834 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -83.62 89.52 7.13 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.313 -0.555 . . . . 15.0 111.318 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.86 173.18 6.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.352 -0.611 . . . . 15.0 109.352 178.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 82.0 m -118.87 147.31 44.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.718 0.294 . . . . 15.0 110.504 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' B' ' 12' ' ' LEU . 48.3 mt -80.22 126.16 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.306 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.59 125.96 43.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.659 -0.7 . . . . 15.0 109.972 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 74.8 m-85 -107.87 109.35 20.85 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.175 -0.466 . . . . 15.0 111.485 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -91.9 115.0 27.69 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.295 -1.002 . . . . 15.0 108.295 178.454 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 1.6 m-20 71.35 -73.58 0.1 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.918 0.761 . . . . 15.0 110.696 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.2 27.35 0.14 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.578 -0.82 . . . . 15.0 112.703 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -127.49 138.06 32.01 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 122.651 -0.323 . . . . 15.0 110.557 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.534 ' HB2' HD11 ' B' ' 28' ' ' LEU . 32.4 Cg_endo -66.09 121.68 9.05 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.722 2.282 . . . . 15.0 112.467 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -126.76 144.04 51.07 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.026 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.877 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -110.3 -175.61 2.77 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.071 -0.513 . . . . 15.0 110.194 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' B' ' 66' ' ' CYS . 3.6 t -118.26 114.06 43.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 24.7 p -68.95 165.92 19.0 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.819 -0.437 . . . . 15.0 109.819 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 26.8 t0 -53.87 -26.74 26.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.758 0.651 . . . . 15.0 112.758 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -64.45 -59.6 4.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.063 0.458 . . . . 15.0 110.489 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . 0.488 ' HB2' ' CG1' ' B' ' 62' ' ' VAL . 0.0 OUTLIER -75.15 -30.77 60.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 13.9 tp -53.03 -52.05 59.71 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.862 0.69 . . . . 15.0 112.862 -178.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -72.35 -29.02 63.41 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.178 0.436 . . . . 15.0 112.178 -178.284 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -78.71 -29.45 45.44 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.362 0.504 . . . . 15.0 112.362 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.232 -0.889 . . . . 15.0 112.017 -178.579 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo . . . . . 0 N--CA 1.459 -0.531 0 N-CA-C 110.879 -0.47 . . . . 15.0 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -140.05 5.72 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.645 -0.422 . . . . 15.0 111.595 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -131.54 151.18 51.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.66 0.267 . . . . 15.0 110.841 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.637 ' HA ' HD11 ' A' ' 52' ' ' ILE . 40.1 tp -59.35 -54.42 56.31 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.955 -0.566 . . . . 15.0 112.401 -179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.8 Cg_endo -55.05 -34.19 86.26 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.045 1.83 . . . . 15.0 111.928 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 13.9 mt-30 -71.25 -35.09 71.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.948 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.8 tp -73.23 -34.68 66.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.86 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.403 ' SG ' HG12 ' A' ' 23' ' ' ILE . 73.1 m -57.13 -40.94 78.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.988 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -28.72 65.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.422 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 7.8 mm-40 -70.04 -33.71 72.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.253 0.549 . . . . 15.0 109.724 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 tp -91.09 -3.46 57.11 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.573 -0.739 . . . . 15.0 110.382 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 60.91 46.98 8.03 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.589 -0.732 . . . . 15.0 111.213 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -150.19 -175.65 5.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.143 -0.481 . . . . 15.0 110.509 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.3 p -107.76 174.98 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.073 0.463 . . . . 15.0 111.628 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.447 ' HA ' HG22 ' A' ' 26' ' ' ILE . 16.3 mt -70.92 -19.06 21.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 115.755 -0.657 . . . . 15.0 111.152 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -86.96 -8.82 56.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.729 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -114.78 -32.87 5.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.274 -0.421 . . . . 15.0 111.988 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.447 HG22 ' HA ' ' A' ' 23' ' ' ILE . 19.8 tt -60.59 124.41 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-O 121.4 0.619 . . . . 15.0 111.843 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.1 mm -112.44 112.31 39.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.928 -0.578 . . . . 15.0 110.135 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 mp -117.65 160.8 20.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.164 -0.471 . . . . 15.0 110.658 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -120.11 166.25 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.876 -0.416 . . . . 15.0 109.876 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.2 t -70.73 144.87 50.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.247 0.546 . . . . 15.0 110.949 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.78 -31.64 49.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.288 -0.869 . . . . 15.0 111.978 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -116.32 -32.66 5.22 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.951 0.723 . . . . 15.0 112.951 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.6 m -82.16 -22.27 36.15 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.815 -0.354 . . . . 15.0 110.476 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 61.25 20.21 10.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.844 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.34 143.73 25.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.791 -0.64 . . . . 15.0 110.069 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -70.42 122.87 20.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.432 -0.349 . . . . 15.0 110.432 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mp -79.88 120.89 24.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.415 -0.357 . . . . 15.0 110.157 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.3 mt -69.78 157.89 36.49 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.177 -0.675 . . . . 15.0 109.177 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -54.21 -28.49 41.32 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.016 0.436 . . . . 15.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -61.2 -44.15 97.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 15.0 110.182 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.65 -31.35 57.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.48 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 38' ' ' LEU . 47.6 t -64.7 -36.1 76.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.526 -0.546 . . . . 15.0 109.526 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -65.92 -37.48 86.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.775 -0.648 . . . . 15.0 109.917 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -33.63 76.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 15.0 110.023 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.438 ' CE2' HD23 ' A' ' 50' ' ' LEU . 14.3 t80 -70.83 -37.02 73.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.488 -0.778 . . . . 15.0 110.364 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -81.32 -20.85 39.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.01 0.433 . . . . 15.0 111.276 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -66.38 -25.9 67.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 15.0 110.506 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -124.27 172.8 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.903 -0.589 . . . . 15.0 110.299 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -99.29 90.43 4.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.673 -0.491 . . . . 15.0 109.673 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.438 HD23 ' CE2' ' A' ' 45' ' ' PHE . 17.0 tp -120.91 151.67 39.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.967 -0.56 . . . . 15.0 110.12 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.57 139.54 30.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.421 -0.354 . . . . 15.0 111.016 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.637 HD11 ' HA ' ' A' ' 12' ' ' LEU . 21.6 mt -80.62 133.18 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.777 -0.453 . . . . 15.0 109.777 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 m -93.69 113.51 28.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.478 0.656 . . . . 15.0 111.008 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' A' ' 59' ' ' PRO . 76.6 m-85 -100.44 110.05 22.22 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.109 -0.496 . . . . 15.0 109.67 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.39 125.26 46.64 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.136 -0.32 . . . . 15.0 110.136 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 71.55 -62.04 0.47 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.287 0.992 . . . . 15.0 110.73 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.401 ' H ' ' H ' ' A' ' 58' ' ' ASN . . . 177.75 16.73 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.591 -0.604 . . . . 15.0 111.591 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.627 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 4.6 t-20 -117.36 132.51 23.5 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 110.15 -0.315 . . . . 15.0 110.15 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.627 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 35.6 Cg_endo -67.21 116.54 4.24 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.675 2.25 . . . . 15.0 112.15 178.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 58' ' ' ASN . 38.8 m-85 -121.45 147.79 45.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.944 0.402 . . . . 15.0 110.561 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.15 170.3 8.26 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.164 -0.471 . . . . 15.0 109.901 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.5 t -98.65 113.6 33.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.328 -0.619 . . . . 15.0 109.328 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 24.8 p -69.03 167.97 14.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.268 0.556 . . . . 15.0 111.412 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -26.58 65.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.256 -0.884 . . . . 15.0 110.08 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -74.98 -58.53 3.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.65 -0.705 . . . . 15.0 110.623 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 99.0 m -59.52 -33.28 71.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.025 -0.534 . . . . 15.0 111.182 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.548 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 . . . . . 0 N--CA 1.467 0.422 0 CA-C-O 121.069 0.461 . . . . 15.0 111.171 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -76.76 -179.0 4.94 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.578 2.185 . . . . 15.0 112.127 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.401 ' HD2' ' N ' ' B' ' 10' ' ' ARG . 3.0 mpt_? -106.16 -4.74 19.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.157 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' B' ' 11' ' ' LYS . 50.8 mmtt -114.9 141.44 47.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.013 0.435 . . . . 15.0 110.43 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.567 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 13.4 tp -58.17 -48.68 96.6 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 113.53 0.937 . . . . 15.0 113.53 -178.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 1.8 Cg_endo -45.85 -51.03 8.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.898 2.399 . . . . 15.0 113.762 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -74.51 -29.68 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.679 0.276 . . . . 15.0 111.256 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 tp -62.24 -34.47 76.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.184 0.516 . . . . 15.0 109.818 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . 0.411 ' SG ' HG12 ' B' ' 23' ' ' ILE . 51.6 m -65.53 -38.19 88.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.633 -0.712 . . . . 15.0 110.26 179.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -37.75 86.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 15.0 110.678 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.69 -35.7 80.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.344 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -89.24 -1.12 57.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.728 -0.669 . . . . 15.0 110.561 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 56.23 41.42 29.32 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.84 -0.618 . . . . 15.0 110.826 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -136.71 178.66 6.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.877 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 29.7 p -99.23 168.33 10.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.059 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.411 HG12 ' SG ' ' B' ' 16' ' ' CYS . 3.4 mt -75.21 0.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.366 0.603 . . . . 15.0 110.567 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -101.55 -7.16 23.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 15.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -114.22 -29.81 6.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 15.0 111.643 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 15.7 tt -63.87 112.87 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.555 0.693 . . . . 15.0 111.11 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 51.0 mm -110.19 118.88 58.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.638 -0.71 . . . . 15.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' B' ' 37' ' ' LEU . 1.4 mp -114.14 155.76 25.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.921 -0.582 . . . . 15.0 109.828 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.423 ' HG3' ' CE2' ' B' ' 60' ' ' TYR . 1.6 pt-20 -103.19 161.39 13.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.766 0.317 . . . . 15.0 110.692 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . 0.51 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 53.9 t -74.37 143.96 44.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.309 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.498 HG13 ' CD2' ' B' ' 32' ' ' TYR . 3.2 p -77.46 -33.69 19.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.826 -0.624 . . . . 15.0 111.361 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.514 ' HB2' ' SG ' ' B' ' 66' ' ' CYS . 92.4 m-85 -96.74 -52.47 3.89 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.06 -0.256 . . . . 15.0 111.412 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 m -76.46 -25.46 54.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.655 -0.248 . . . . 15.0 111.401 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 28.8 mttt 61.43 28.61 17.96 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.468 0.651 . . . . 15.0 110.677 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -98.16 163.19 12.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.28 -0.873 . . . . 15.0 109.902 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -81.12 116.19 20.92 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.113 -0.328 . . . . 15.0 110.113 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' B' ' 61' ' ' ALA . 7.9 mp -81.08 126.07 30.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.871 0.367 . . . . 15.0 110.23 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 68.8 mt -78.27 171.98 14.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.151 -0.477 . . . . 15.0 109.778 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -59.96 -14.61 16.74 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.663 0.268 . . . . 15.0 111.474 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -60.76 -52.01 66.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.043 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.54 -31.46 65.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.59 . . . . 15.0 110.656 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.1 -38.17 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 15.0 110.96 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -71.37 -36.94 71.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.628 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -69.4 -36.3 76.62 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.01 -34.67 76.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.822 -1.081 . . . . 15.0 110.692 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.12 -33.65 22.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 15.0 111.359 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -68.52 -50.07 54.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.99 0.424 . . . . 15.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -92.83 162.46 14.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.749 -0.463 . . . . 15.0 109.749 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -81.0 80.93 7.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.47 0.652 . . . . 15.0 111.438 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.56 144.98 30.28 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.61 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.95 148.66 25.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.906 -0.588 . . . . 15.0 110.25 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 70.8 mt -80.69 131.94 32.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.933 0.397 . . . . 15.0 110.165 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -103.2 125.17 57.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.05 -0.523 . . . . 15.0 109.727 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -94.8 108.91 20.93 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.451 -0.5 . . . . 15.0 110.616 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -91.85 109.54 20.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.765 -0.652 . . . . 15.0 109.421 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 66.37 15.09 9.99 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.437 -0.801 . . . . 15.0 110.968 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.56 -7.04 49.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.717 -0.754 . . . . 15.0 112.648 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -99.83 141.28 22.5 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 110.031 -0.359 . . . . 15.0 110.031 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.07 118.46 5.45 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.723 2.282 . . . . 15.0 113.132 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' B' ' 29' ' ' GLU . 7.4 m-85 -124.21 166.59 15.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.83 -0.623 . . . . 15.0 109.693 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.489 ' HB3' HD22 ' B' ' 37' ' ' LEU . . . -123.68 179.64 4.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.119 0.485 . . . . 15.0 111.558 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . 0.513 HG13 ' HB2' ' B' ' 66' ' ' CYS . 22.0 t -120.22 121.26 65.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.537 -0.756 . . . . 15.0 110.104 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 6.8 p -83.64 176.32 9.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.66 0.267 . . . . 15.0 110.492 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.29 -27.86 67.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.051 0.453 . . . . 15.0 110.834 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -66.92 -57.74 6.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.989 -0.551 . . . . 15.0 111.053 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . 0.514 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 7.2 m -70.72 -24.18 62.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.884 -178.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -49.03 68.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.218 0.532 . . . . 15.0 111.34 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.01 -22.6 39.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.797 -0.638 . . . . 15.0 111.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.44 -54.2 6.72 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.825 0.676 . . . . 15.0 112.825 -178.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 C--O 1.255 1.392 0 CA-C-O 118.867 -0.587 . . . . 15.0 111.279 -178.596 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo . . . . . 0 N--CA 1.461 -0.425 0 CA-C-O 120.977 0.324 . . . . 15.0 112.421 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -90.15 6.8 41.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.205 -0.452 . . . . 15.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -125.3 134.7 52.16 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.45 -0.341 . . . . 15.0 110.185 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 23.8 tp -51.63 -51.48 69.4 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 114.093 1.146 . . . . 15.0 114.093 -177.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.8 Cg_endo -49.85 -40.61 48.4 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.466 2.11 . . . . 15.0 113.436 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -76.88 -24.92 52.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.734 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.454 HD22 HD13 ' A' ' 52' ' ' ILE . 41.6 tp -68.63 -34.45 75.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.8 0.333 . . . . 15.0 110.602 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 m -59.26 -35.61 74.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -66.33 -34.04 77.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.576 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -73.92 -27.34 60.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 15.0 111.15 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.4 mt -95.99 -0.53 50.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.877 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 59.47 56.95 3.49 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.542 -0.754 . . . . 15.0 111.731 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -161.15 179.74 8.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.491 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -103.81 170.58 7.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.888 0.375 . . . . 15.0 111.309 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' HA ' HG22 ' A' ' 26' ' ' ILE . 29.6 mt -65.06 -22.48 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.32 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -84.64 0.36 50.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.157 -179.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -127.24 -29.42 2.74 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.006 0.372 . . . . 15.0 112.006 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 23' ' ' ILE . 15.2 tt -59.21 121.85 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.513 0.673 . . . . 15.0 111.7 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 mm -110.58 120.49 61.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.707 -0.679 . . . . 15.0 109.593 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -121.51 151.07 40.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.38 -0.373 . . . . 15.0 110.151 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -100.1 155.84 17.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.393 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.6 t -68.28 143.78 55.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.043 -0.526 . . . . 15.0 110.399 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 p -62.63 -33.83 61.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.769 -0.65 . . . . 15.0 111.541 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -105.13 -54.11 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.948 0.351 . . . . 15.0 111.948 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.8 m -70.82 -25.35 62.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.108 0.411 . . . . 15.0 112.108 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 mttp 60.67 30.89 20.03 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.602 0.715 . . . . 15.0 110.08 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -102.85 142.33 34.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.076 -0.966 . . . . 15.0 110.099 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -68.26 123.04 19.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 mp -77.4 148.44 35.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.209 -0.451 . . . . 15.0 110.606 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.552 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . 66.0 mt -84.62 167.61 16.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.534 -0.543 . . . . 15.0 109.534 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.2 ptt-85 -66.11 -20.32 66.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.651 0.263 . . . . 15.0 110.969 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -64.24 -53.01 55.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.805 0.336 . . . . 15.0 110.698 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.552 ' OE1' ' HB2' ' A' ' 38' ' ' LEU . 1.1 pm0 -72.0 -33.0 67.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.259 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.459 HG13 HD21 ' A' ' 12' ' ' LEU . 24.4 t -60.85 -42.53 92.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.749 -0.463 . . . . 15.0 109.749 178.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -65.12 -42.06 94.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.954 -0.566 . . . . 15.0 110.05 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -66.12 -33.07 74.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.686 -0.688 . . . . 15.0 110.425 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 50' ' ' LEU . 13.6 t80 -69.18 -40.18 78.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.471 -0.786 . . . . 15.0 110.437 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.62 -13.25 52.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.915 -0.584 . . . . 15.0 111.315 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -70.34 -45.5 66.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.085 -0.507 . . . . 15.0 110.034 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.5 mtm-85 -104.92 -176.08 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.228 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -96.04 88.87 5.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.151 0.5 . . . . 15.0 111.126 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 45' ' ' PHE . 87.5 mt -115.66 149.92 37.58 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.882 -0.599 . . . . 15.0 109.596 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.4 p -101.15 147.84 25.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.817 0.342 . . . . 15.0 111.777 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.477 HD11 ' HA ' ' A' ' 12' ' ' LEU . 76.1 mt -81.3 134.64 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.019 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.2 t -91.34 113.85 27.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.501 -0.555 . . . . 15.0 109.501 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -94.19 113.08 24.95 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.058 0.456 . . . . 15.0 111.406 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.593 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -102.31 107.01 17.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.662 -0.699 . . . . 15.0 109.144 178.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.8 25.22 8.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.667 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.13 -7.96 75.91 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.812 -0.709 . . . . 15.0 112.365 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -91.94 134.85 28.11 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 110.442 -0.207 . . . . 15.0 110.442 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.3 120.36 6.5 Favored 'Trans proline' 0 CA--C 1.528 0.195 0 C-N-CA 122.722 2.281 . . . . 15.0 112.989 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.409 ' CD2' ' HB2' ' A' ' 55' ' ' ARG . 56.1 m-85 -126.17 151.03 47.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.045 -0.525 . . . . 15.0 110.058 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.73 172.57 6.75 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.307 -0.406 . . . . 15.0 110.301 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.18 117.06 54.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.552 -0.536 . . . . 15.0 109.552 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 26.6 p -72.89 168.03 19.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.968 0.414 . . . . 15.0 110.601 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.77 -24.7 64.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.016 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.2 -53.95 6.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.635 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 89.6 m -65.14 -24.9 67.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 15.0 112.076 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.245 0.545 . . . . 15.0 110.377 179.076 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 . . . . . 0 C--O 1.233 0.216 0 CA-C-O 121.075 0.464 . . . . 15.0 110.522 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -73.08 168.73 23.98 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.556 2.171 . . . . 15.0 112.386 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -91.41 0.93 57.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.177 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -104.86 122.05 44.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.527 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 15.1 tp -52.6 -52.31 65.14 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 116.006 -0.543 . . . . 15.0 111.934 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 19.2 Cg_endo -59.64 -33.8 96.59 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.091 1.861 . . . . 15.0 112.549 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -74.51 -27.84 60.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.722 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.405 HD23 HD11 ' B' ' 26' ' ' ILE . 44.5 tp -64.97 -34.68 79.01 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.825 -0.806 . . . . 15.0 108.825 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 7.5 m -65.06 -30.09 71.03 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.579 -0.737 . . . . 15.0 109.849 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -43.58 83.22 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.856 -0.611 . . . . 15.0 110.495 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -68.73 -35.89 77.71 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.075 0.464 . . . . 15.0 109.93 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 38.3 mt -74.93 -10.89 59.92 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.518 -0.764 . . . . 15.0 110.369 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 60.47 40.35 17.24 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.662 -0.699 . . . . 15.0 110.951 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -138.68 -172.37 3.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.46 -0.791 . . . . 15.0 109.57 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 38.2 p -108.04 172.4 6.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 15.0 111.426 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.39 1.98 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.348 0.594 . . . . 15.0 110.754 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -104.59 -1.87 25.9 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.742 -0.466 . . . . 15.0 109.742 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -121.37 -20.21 6.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.981 -0.554 . . . . 15.0 111.429 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.405 HD11 HD23 ' B' ' 15' ' ' LEU . 11.7 tt -67.61 125.55 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.008 0.432 . . . . 15.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 33.6 mm -129.21 126.03 63.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.613 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -117.72 160.58 21.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.713 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -110.48 158.97 17.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.925 0.393 . . . . 15.0 111.199 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 43.1 t -68.23 140.97 56.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.51 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -72.08 -22.01 20.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.972 -0.558 . . . . 15.0 111.246 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -106.96 -43.69 4.59 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 15.2 m -85.65 -21.3 28.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.986 0.365 . . . . 15.0 111.986 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.7 mptt 63.56 15.41 8.84 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.291 -0.413 . . . . 15.0 110.728 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -93.27 144.33 25.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.243 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -72.09 132.36 44.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.972 0.415 . . . . 15.0 111.343 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mp -87.98 141.8 28.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.867 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 40.6 mt -80.02 162.29 24.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.342 -0.39 . . . . 15.0 110.369 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -52.45 -36.78 55.4 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.838 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -62.07 -44.86 95.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.892 -0.595 . . . . 15.0 110.659 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.06 -33.67 70.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.183 -0.462 . . . . 15.0 110.666 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.9 t -62.18 -40.02 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.059 0.457 . . . . 15.0 109.884 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -74.4 -32.37 62.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.342 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.34 -34.62 77.7 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.028 -0.73 . . . . 15.0 109.028 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.36 -44.43 87.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.001 -1.0 . . . . 15.0 110.278 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.47 -13.19 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.886 -0.597 . . . . 15.0 111.504 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.08 -33.76 76.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.503 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -114.3 -177.89 3.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.839 -0.43 . . . . 15.0 109.839 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.78 84.88 7.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.076 0.465 . . . . 15.0 110.698 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.3 mp -116.55 150.53 37.83 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.219 -0.66 . . . . 15.0 109.219 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.91 148.93 27.07 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.717 0.294 . . . . 15.0 111.18 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -80.26 123.1 36.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.336 -0.616 . . . . 15.0 109.336 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.21 136.22 24.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.328 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -104.73 110.29 22.57 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -92.2 111.4 22.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.429 -0.952 . . . . 15.0 108.429 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 70.99 -72.14 0.12 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 124.029 0.831 . . . . 15.0 110.763 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.98 16.96 0.12 Allowed Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.135 -0.786 . . . . 15.0 111.135 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' B' ' 59' ' ' PRO . 0.8 OUTLIER -119.95 145.16 39.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 110.173 -0.306 . . . . 15.0 110.173 -179.601 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 8.1 Cg_exo -71.54 121.54 7.8 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.387 2.058 . . . . 15.0 111.691 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -122.27 167.89 12.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.091 -0.504 . . . . 15.0 110.34 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.36 178.75 5.85 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.556 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 34.5 t -113.36 123.8 69.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.767 -0.827 . . . . 15.0 108.767 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 28.8 p -73.67 174.58 8.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.297 0.57 . . . . 15.0 111.22 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.25 -16.55 63.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.414 -0.812 . . . . 15.0 110.805 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -81.72 -55.53 4.58 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.847 -0.615 . . . . 15.0 110.429 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 m -70.45 -18.72 63.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 15.0 111.553 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -43.15 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.035 -0.529 . . . . 15.0 112.199 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.67 -21.14 38.3 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.927 -0.309 . . . . 15.0 111.763 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -77.58 -41.73 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.843 0.354 . . . . 15.0 111.694 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.78 -0.628 . . . . 15.0 110.709 -178.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo . . . . . 0 N--CA 1.462 -0.359 0 N-CA-C 111.313 -0.303 . . . . 15.0 111.313 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -92.8 4.26 54.14 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.998 0.37 . . . . 15.0 111.998 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -114.76 136.37 53.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.776 0.322 . . . . 15.0 110.281 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.451 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 26.9 tp -55.77 -54.68 49.11 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 113.541 0.941 . . . . 15.0 113.541 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 12.4 Cg_endo -56.11 -35.53 95.13 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.019 1.813 . . . . 15.0 112.638 -179.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -73.37 -38.07 65.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.675 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -63.91 -34.78 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -56.51 -35.08 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -48.15 76.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.093 0.473 . . . . 15.0 111.202 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.84 -27.58 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.814 -0.63 . . . . 15.0 110.699 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.44 ' HB3' HG22 ' A' ' 21' ' ' THR . 0.3 OUTLIER -84.15 -9.29 58.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.841 -0.618 . . . . 15.0 110.207 179.234 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 62.34 40.37 11.29 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.584 -0.735 . . . . 15.0 111.619 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.44 HG22 ' HB3' ' A' ' 19' ' ' LEU . 6.1 t -146.35 -175.14 4.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.067 -0.515 . . . . 15.0 109.884 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.5 p -118.47 177.72 4.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.751 0.31 . . . . 15.0 110.486 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mt -73.3 -11.05 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.442 0.639 . . . . 15.0 110.106 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -83.82 -18.77 36.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.872 -0.603 . . . . 15.0 110.314 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -142.49 71.12 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.138 0.494 . . . . 15.0 111.376 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 tt -138.64 124.46 23.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.065 0.459 . . . . 15.0 110.142 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.7 mm -111.52 110.37 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.974 0.416 . . . . 15.0 110.567 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.1 mp -112.53 153.79 26.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.399 -0.593 . . . . 15.0 109.399 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -109.32 155.53 21.06 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.826 0.346 . . . . 15.0 110.836 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.476 ' HB3' ' H ' ' A' ' 35' ' ' GLN . 43.0 t -72.45 145.39 47.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.779 -0.646 . . . . 15.0 110.75 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.89 -27.61 16.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.805 -0.634 . . . . 15.0 111.718 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.457 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 42.2 m-85 -106.83 -44.93 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.999 0.37 . . . . 15.0 111.999 -178.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.6 m -86.81 -22.92 25.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.554 0.216 . . . . 15.0 111.233 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 8.6 mttt 61.12 29.18 18.72 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.334 0.588 . . . . 15.0 110.556 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.476 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 31.2 mm-40 -91.63 153.23 19.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.57 -0.741 . . . . 15.0 110.021 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -82.14 121.23 26.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.376 -0.375 . . . . 15.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.1 140.68 33.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.25 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 42' ' ' VAL . 65.5 mt -95.93 171.76 8.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.138 0.494 . . . . 15.0 111.442 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -58.86 -22.39 58.94 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.364 -0.834 . . . . 15.0 111.282 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -65.13 -52.52 54.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.545 . . . . 15.0 111.533 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -79.35 -27.0 41.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.488 -0.324 . . . . 15.0 111.588 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 38' ' ' LEU . 39.7 t -58.98 -39.93 79.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 15.0 110.817 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -69.65 -36.87 76.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.872 0.368 . . . . 15.0 110.71 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.88 -30.63 71.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.319 0.581 . . . . 15.0 109.944 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -64.56 -39.76 94.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.17 -0.923 . . . . 15.0 110.492 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.57 -20.77 29.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 15.0 111.262 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -68.06 -33.73 75.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.505 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -111.85 172.09 7.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.63 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -89.88 79.71 6.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.484 . . . . 15.0 111.19 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 67' ' ' LEU . 5.4 mp -104.69 166.84 10.12 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.019 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.3 m -123.5 147.28 47.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.037 -0.529 . . . . 15.0 110.312 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.405 HD11 ' HA ' ' A' ' 12' ' ' LEU . 56.3 mt -83.52 130.22 36.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.478 -0.328 . . . . 15.0 110.223 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.81 134.56 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.905 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -115.9 109.6 17.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.187 0.518 . . . . 15.0 111.805 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HD2' ' HB2' ' A' ' 56' ' ' ASP . 6.8 tmm_? -101.58 121.06 41.3 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.304 -0.998 . . . . 15.0 108.304 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.421 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 0.7 OUTLIER 71.7 -69.01 0.2 Allowed 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.987 0.804 . . . . 15.0 110.499 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.89 29.0 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.719 -0.673 . . . . 15.0 111.5 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -124.92 146.22 52.62 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 110.25 -0.278 . . . . 15.0 110.25 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.33 118.49 4.94 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.622 2.215 . . . . 15.0 112.477 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -122.11 146.93 46.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.382 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.461 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -108.81 170.08 8.27 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.039 -0.528 . . . . 15.0 110.875 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.3 t -100.15 113.88 37.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.589 -0.732 . . . . 15.0 109.603 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 27.0 p -77.34 179.72 6.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.239 0.542 . . . . 15.0 111.709 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -63.7 -25.18 68.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.451 -0.795 . . . . 15.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -82.79 -54.71 4.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.524 . . . . 15.0 111.308 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 54.4 m -71.26 -17.44 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.64 0.607 . . . . 15.0 112.64 -178.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 50' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.971 0.415 . . . . 15.0 111.734 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.581 ' HG3' ' CZ ' ' B' ' 54' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.522 0 N-CA-C 110.169 -0.308 . . . . 15.0 110.169 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.463 ' HD3' ' HG3' ' B' ' 18' ' ' GLU . 66.1 Cg_endo -90.8 160.38 4.12 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.963 2.442 . . . . 15.0 112.548 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -87.94 -0.85 57.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.394 -0.366 . . . . 15.0 111.43 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.457 ' HD2' ' OE1' ' B' ' 14' ' ' GLN . 90.2 mttt -102.46 130.03 49.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.416 -0.357 . . . . 15.0 110.332 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.644 ' HA ' HD11 ' B' ' 52' ' ' ILE . 39.4 tp -54.17 -54.44 47.59 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 113.059 0.763 . . . . 15.0 113.059 -179.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 13.0 Cg_endo -56.02 -36.0 95.42 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.063 1.842 . . . . 15.0 112.846 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.457 ' OE1' ' HD2' ' B' ' 11' ' ' LYS . 20.2 mt-30 -73.92 -34.9 64.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.369 -0.378 . . . . 15.0 110.491 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.793 HD22 HD13 ' B' ' 52' ' ' ILE . 40.8 tp -63.0 -39.35 94.49 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 116.418 -0.355 . . . . 15.0 110.407 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.8 m -58.45 -43.5 88.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 15.0 109.844 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 14.7 m -64.24 -44.14 92.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.792 -0.64 . . . . 15.0 111.045 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.463 ' HG3' ' HD3' ' B' ' 9' ' ' PRO . 81.3 mm-40 -65.1 -35.7 81.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.55 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -81.42 -2.14 48.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.677 -0.692 . . . . 15.0 110.897 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 57.83 45.86 17.87 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 121.222 0.534 . . . . 15.0 110.922 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -148.08 179.48 7.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.009 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 71.5 p -98.76 176.1 5.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.58 0.228 . . . . 15.0 110.47 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.408 ' H ' HG13 ' B' ' 23' ' ' ILE . 6.2 mt -77.27 -12.76 14.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.515 0.674 . . . . 15.0 110.191 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -95.12 -23.54 17.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.552 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -106.4 4.73 28.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.173 -0.467 . . . . 15.0 111.701 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.3 tt -80.79 124.39 38.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.216 0.531 . . . . 15.0 110.19 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 mm -99.75 106.77 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.076 0.465 . . . . 15.0 111.002 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.509 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.0 OUTLIER -128.1 143.74 51.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.637 -0.71 . . . . 15.0 109.542 178.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' B' ' 36' ' ' GLN . 4.5 pt-20 -116.97 166.95 11.59 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.703 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 40.7 t -67.79 143.81 55.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.183 0.516 . . . . 15.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.51 -25.58 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.333 -0.848 . . . . 15.0 111.754 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -117.73 -47.08 2.63 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.418 0.525 . . . . 15.0 112.418 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 18.7 m -68.1 -24.49 65.04 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.525 0.203 . . . . 15.0 110.976 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 tptp 64.22 15.95 9.73 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.905 -0.589 . . . . 15.0 111.353 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.23 139.66 35.59 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.552 -0.536 . . . . 15.0 109.552 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.415 ' HA ' ' HA ' ' B' ' 29' ' ' GLU . 18.4 pt20 -65.72 139.33 58.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.932 0.396 . . . . 15.0 110.907 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -84.7 142.9 29.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.895 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.447 ' O ' HG23 ' B' ' 42' ' ' VAL . 51.0 mt -82.71 149.1 27.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.961 -0.755 . . . . 15.0 108.961 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.43 ' HB3' ' HE ' ' B' ' 39' ' ' ARG . 0.0 OUTLIER -52.59 -28.6 21.78 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.376 0.51 . . . . 15.0 112.376 -178.549 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -61.48 -46.22 90.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.621 0.248 . . . . 15.0 110.624 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -74.93 -30.13 61.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.931 0.396 . . . . 15.0 110.089 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 38' ' ' LEU . 60.7 t -64.16 -34.89 71.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.046 -0.524 . . . . 15.0 109.64 178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -62.26 -44.9 95.5 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.024 178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -70.44 -27.71 64.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.521 . . . . 15.0 110.488 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -63.33 -35.62 81.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.762 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.95 -20.09 29.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.295 0.569 . . . . 15.0 110.298 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -75.18 -40.09 59.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.502 -0.772 . . . . 15.0 109.619 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -95.58 162.21 13.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.593 -0.731 . . . . 15.0 109.845 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -84.71 95.56 8.96 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.496 -0.557 . . . . 15.0 109.496 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.7 mt -132.95 142.59 48.96 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.409 -0.36 . . . . 15.0 110.591 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.5 m -100.71 155.51 17.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.793 HD13 HD22 ' B' ' 15' ' ' LEU . 62.5 mt -80.61 132.72 31.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.792 0.33 . . . . 15.0 110.687 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 t -90.99 136.29 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.342 -0.614 . . . . 15.0 109.342 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.581 ' CZ ' ' HG3' ' B' ' 8' ' ' ARG . 50.0 m-85 -120.9 110.2 16.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.085 0.469 . . . . 15.0 111.96 -178.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 0.7 OUTLIER -103.37 115.88 31.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.092 -1.077 . . . . 15.0 108.092 178.035 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 10.1 t70 73.4 -52.92 0.7 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.823 0.702 . . . . 15.0 110.613 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 174.15 -26.47 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 121.173 -0.537 . . . . 15.0 112.379 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -71.86 143.16 86.42 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.55 0.214 . . . . 15.0 110.594 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -74.53 122.43 7.42 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.706 2.271 . . . . 15.0 112.473 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -123.01 149.45 44.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.083 0.468 . . . . 15.0 110.723 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.509 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -115.99 -176.24 2.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.765 -0.652 . . . . 15.0 110.201 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 t -118.77 119.8 62.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.556 -0.535 . . . . 15.0 109.556 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 2.1 p -80.48 170.81 15.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.468 0.175 . . . . 15.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -53.14 -36.09 60.44 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.981 -0.554 . . . . 15.0 111.429 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.583 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 9.1 mtpt -64.57 -54.55 30.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.248 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 17.3 m -73.03 -27.07 61.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.787 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -59.06 -33.89 71.31 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.456 0.539 . . . . 15.0 112.456 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 61.0 pttt -78.66 -22.87 46.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.764 0.316 . . . . 15.0 110.597 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -77.66 -51.42 10.64 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.196 0.443 . . . . 15.0 112.196 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.398 -0.811 . . . . 15.0 111.748 -177.82 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo . . . . . 0 N--CA 1.464 -0.258 0 CA-C-O 120.925 0.302 . . . . 15.0 112.05 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -95.41 21.52 8.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.093 0.473 . . . . 15.0 110.775 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -125.64 125.11 42.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.584 . . . . 15.0 110.055 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 49.5 tp -52.67 -53.18 56.92 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 113.393 0.886 . . . . 15.0 113.393 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 12.3 Cg_endo -55.89 -33.93 90.21 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.326 2.017 . . . . 15.0 113.149 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -84.67 -33.49 23.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.901 0.382 . . . . 15.0 110.65 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.3 tp -62.0 -38.31 88.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.972 -0.558 . . . . 15.0 110.225 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.0 m -59.71 -36.34 76.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.498 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -65.86 -40.67 91.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.674 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.99 -37.0 85.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 15.0 110.577 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.57 0.72 55.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.557 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 58.76 45.51 15.51 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.308 0.38 . . . . 15.0 111.281 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -152.05 -170.18 3.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.723 -0.217 . . . . 15.0 110.513 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.7 p -122.94 177.62 5.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.954 0.407 . . . . 15.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.406 ' HA ' HG22 ' A' ' 26' ' ' ILE . 26.4 mt -67.87 -19.1 24.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.957 -0.565 . . . . 15.0 111.078 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -83.66 -3.26 57.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.139 -0.482 . . . . 15.0 111.421 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -132.09 -27.03 1.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.235 0.457 . . . . 15.0 112.235 -178.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.406 HG22 ' HA ' ' A' ' 23' ' ' ILE . 20.2 tt -55.79 134.02 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 121.301 0.572 . . . . 15.0 111.482 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.7 mm -102.73 115.98 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.77 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.563 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.1 mp -124.37 139.08 54.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.881 -0.6 . . . . 15.0 109.79 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 4.2 pt-20 -122.87 164.16 18.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.881 -0.145 . . . . 15.0 110.719 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.8 t -67.97 137.3 55.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.126 0.489 . . . . 15.0 110.817 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.495 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 10.0 p -66.93 -26.99 38.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.814 -0.63 . . . . 15.0 111.554 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -105.61 -54.64 2.45 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.048 0.388 . . . . 15.0 112.048 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.0 m -74.59 -22.27 59.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.014 0.376 . . . . 15.0 112.014 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 mptt 63.21 25.5 14.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.23 0.538 . . . . 15.0 110.903 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -90.0 134.05 34.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.937 -0.574 . . . . 15.0 109.499 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -68.92 120.53 14.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.902 0.382 . . . . 15.0 110.533 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -85.53 122.48 29.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.944 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.2 mt -64.58 147.66 52.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.411 -0.589 . . . . 15.0 109.411 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -53.71 -29.86 41.1 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.759 0.314 . . . . 15.0 111.401 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.418 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 48.9 ttp180 -60.68 -40.82 93.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.277 -0.42 . . . . 15.0 110.679 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.85 -33.01 65.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.927 -0.578 . . . . 15.0 109.775 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.48 -33.22 60.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.528 -0.76 . . . . 15.0 110.375 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 20.0 m-85 -61.9 -31.68 71.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 15.0 110.343 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -30.96 60.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.333 0.587 . . . . 15.0 109.594 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -65.97 -38.52 88.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.171 -0.922 . . . . 15.0 110.082 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.68 -16.67 50.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.015 -0.538 . . . . 15.0 111.763 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -77.18 -22.59 52.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.357 0.599 . . . . 15.0 109.936 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -116.53 171.49 7.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.017 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -93.48 95.53 9.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.623 -0.51 . . . . 15.0 109.623 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -122.54 154.93 37.23 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.632 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.16 148.24 22.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.725 -0.67 . . . . 15.0 111.061 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.2 mt -95.3 123.38 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.02 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.7 137.27 22.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.794 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -116.09 124.5 50.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.1 107.16 18.99 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.155 -0.683 . . . . 15.0 109.155 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t70 68.96 -74.07 0.08 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.043 0.839 . . . . 15.0 110.898 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.35 12.55 0.27 Allowed Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.796 -0.522 . . . . 15.0 111.796 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -114.29 137.62 22.63 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.44 130.06 21.53 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.877 2.384 . . . . 15.0 111.974 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.495 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 9.2 m-85 -130.3 166.5 20.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.965 0.412 . . . . 15.0 110.839 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.563 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -121.66 -176.42 3.31 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.927 -0.579 . . . . 15.0 110.948 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.6 t -123.44 122.44 65.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.694 -0.685 . . . . 15.0 109.533 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 25.6 p -74.03 173.18 10.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.668 0.271 . . . . 15.0 110.761 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.26 -23.19 67.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.195 0.521 . . . . 15.0 110.613 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -75.95 -56.71 4.41 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.828 -0.624 . . . . 15.0 110.496 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 64.0 m -71.97 -19.23 61.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.546 -0.752 . . . . 15.0 111.627 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.171 0.51 . . . . 15.0 111.479 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 62.2 mtm180 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.688 0.28 . . . . 15.0 111.111 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.2 170.17 13.79 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.408 2.072 . . . . 15.0 111.933 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.89 2.78 38.49 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.962 -0.295 . . . . 15.0 111.617 -179.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -116.76 132.14 56.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.912 -0.403 . . . . 15.0 109.912 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 37.8 tp -52.07 -51.15 74.08 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 113.063 0.764 . . . . 15.0 113.063 -178.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.4 Cg_endo -55.89 -34.15 90.82 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.054 1.836 . . . . 15.0 112.637 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -77.76 -33.32 52.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.892 0.377 . . . . 15.0 110.351 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.422 HD22 HD13 ' B' ' 52' ' ' ILE . 48.8 tp -65.85 -34.54 78.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.204 0.526 . . . . 15.0 109.679 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.1 m -61.13 -37.65 83.57 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.614 -0.721 . . . . 15.0 110.081 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -40.27 93.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.324 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.66 -33.8 76.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.899 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mt -86.53 -3.9 59.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.603 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 60.92 41.62 14.05 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.554 -0.748 . . . . 15.0 111.216 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -144.1 -175.24 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.94 -0.573 . . . . 15.0 109.843 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p -110.13 172.13 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.953 0.406 . . . . 15.0 111.343 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.513 ' HA ' HG22 ' B' ' 26' ' ' ILE . 5.8 mt -71.57 -7.18 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.441 0.639 . . . . 15.0 110.447 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -93.5 -6.56 46.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.531 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -125.57 -25.5 3.7 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.02 0.378 . . . . 15.0 112.02 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.513 HG22 ' HA ' ' B' ' 23' ' ' ILE . 21.2 tt -61.5 125.26 17.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.367 0.603 . . . . 15.0 111.281 -179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 47.7 mm -114.47 114.01 45.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.939 -0.573 . . . . 15.0 109.98 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.2 mp -111.8 160.91 16.89 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.164 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.439 ' HG2' HE21 ' B' ' 36' ' ' GLN . 45.4 mt-10 -107.71 151.99 24.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.399 -0.364 . . . . 15.0 110.627 -179.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 41.7 t -69.31 137.97 53.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.305 -0.407 . . . . 15.0 110.413 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' B' ' 60' ' ' TYR . 12.3 p -68.87 -25.0 29.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.701 -0.681 . . . . 15.0 111.784 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -110.81 -55.36 2.49 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.801 -0.359 . . . . 15.0 111.867 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 m -68.53 -21.67 64.55 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.619 0.229 . . . . 15.0 111.619 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm 59.55 30.03 19.65 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.018 -0.537 . . . . 15.0 111.178 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -105.46 169.2 8.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.515 -0.311 . . . . 15.0 110.521 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.439 HE21 ' HG2' ' B' ' 29' ' ' GLU . 13.8 mm-40 -77.62 123.51 26.73 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.885 -0.783 . . . . 15.0 108.885 178.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.64 132.83 49.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.868 0.366 . . . . 15.0 111.028 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 42' ' ' VAL . 57.1 mt -76.23 164.66 25.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.886 -0.597 . . . . 15.0 110.336 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -54.45 -44.95 72.97 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.43 -0.35 . . . . 15.0 111.336 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -65.5 -37.04 85.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.58 -0.282 . . . . 15.0 111.18 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.464 ' OE2' ' HB2' ' B' ' 63' ' ' CYS . 53.7 mt-10 -66.51 -40.49 89.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.746 0.307 . . . . 15.0 110.317 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 38' ' ' LEU . 58.7 t -65.89 -42.7 92.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.12 0.486 . . . . 15.0 109.847 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -66.05 -35.27 80.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.949 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -35.86 82.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.093 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -67.25 -33.43 75.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.054 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.65 -15.99 55.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 15.0 111.118 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -93.48 -39.83 10.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.544 . . . . 15.0 110.74 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -93.95 133.95 36.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.218 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.23 95.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.439 0.638 . . . . 15.0 110.93 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mt -131.53 179.21 6.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.274 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 9.3 p -127.05 151.67 48.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.169 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.447 HD11 ' HA ' ' B' ' 12' ' ' LEU . 77.2 mt -80.29 122.45 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.951 0.405 . . . . 15.0 110.603 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.69 114.32 31.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.766 -0.652 . . . . 15.0 110.608 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -93.48 111.01 22.58 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.146 0.498 . . . . 15.0 110.495 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -98.35 114.05 26.23 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.597 -0.89 . . . . 15.0 108.597 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t70 73.72 -51.41 0.7 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 124.05 0.844 . . . . 15.0 111.616 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.51 8.77 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.747 -0.74 . . . . 15.0 112.529 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.406 ' HA ' ' HD3' ' B' ' 59' ' ' PRO . 1.0 OUTLIER -106.46 140.47 21.35 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.862 -0.421 . . . . 15.0 109.862 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 22.3 Cg_exo -64.28 107.15 0.77 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.372 2.048 . . . . 15.0 111.677 179.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . 0.402 ' HB3' ' HB ' ' B' ' 31' ' ' VAL . 51.1 m-85 -117.31 147.27 42.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.878 -0.601 . . . . 15.0 110.309 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.517 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -127.15 168.95 13.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.117 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 t -97.78 113.12 31.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.575 -0.898 . . . . 15.0 108.575 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . 0.464 ' HB2' ' OE2' ' B' ' 41' ' ' GLU . 29.5 p -73.15 173.06 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.962 0.41 . . . . 15.0 111.574 -178.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.01 -21.77 65.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.634 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.532 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 0.7 OUTLIER -82.68 -50.47 8.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.973 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 66.0 m -69.99 -26.39 64.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.733 0.301 . . . . 15.0 111.204 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.59 -43.86 89.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 15.0 111.769 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -79.49 -13.48 59.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.637 0.256 . . . . 15.0 111.215 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.05 -26.85 54.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 15.0 111.228 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.544 -0.741 . . . . 15.0 111.222 -179.054 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo . . . . . 0 N--CA 1.461 -0.41 0 N-CA-C 111.254 -0.325 . . . . 15.0 111.254 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -93.38 18.66 9.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.038 0.447 . . . . 15.0 111.204 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -128.38 129.11 45.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.914 -0.585 . . . . 15.0 109.757 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 37.2 tp -50.53 -52.78 52.5 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 113.708 1.003 . . . . 15.0 113.708 -178.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 9.3 Cg_endo -52.85 -35.88 71.93 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 122.467 2.111 . . . . 15.0 113.761 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -85.47 -24.97 27.17 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.547 0.203 . . . . 15.0 111.547 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.9 tp -72.3 -34.55 68.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 15.0 110.698 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.553 ' SG ' HG12 ' A' ' 23' ' ' ILE . 58.9 m -59.48 -40.6 87.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.562 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -31.54 72.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 15.0 111.18 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.71 -37.94 89.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.211 0.529 . . . . 15.0 110.006 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.2 mt -84.77 -2.81 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.44 -0.8 . . . . 15.0 110.295 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 61.4 32.3 19.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.525 -0.761 . . . . 15.0 111.228 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -130.91 178.66 6.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.092 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.4 p -101.08 168.14 9.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.031 0.444 . . . . 15.0 111.448 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.553 HG12 ' SG ' ' A' ' 16' ' ' CYS . 11.5 mt -69.01 -11.1 14.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.629 0.728 . . . . 15.0 110.352 179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -91.12 -0.51 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.546 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -125.74 -32.1 2.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.247 0.462 . . . . 15.0 112.247 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.495 HG22 ' HA ' ' A' ' 23' ' ' ILE . 13.9 tt -61.38 124.03 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.257 0.551 . . . . 15.0 111.431 -179.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 mm -113.47 108.99 26.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.991 -0.55 . . . . 15.0 110.393 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tp -109.96 156.06 20.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.247 -0.433 . . . . 15.0 109.973 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 2.8 pt-20 -113.72 162.47 16.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.668 -0.242 . . . . 15.0 110.523 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.526 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 44.3 t -67.39 140.54 57.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.254 0.549 . . . . 15.0 111.176 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.8 p -74.21 -18.44 17.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.376 -0.829 . . . . 15.0 111.328 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -101.83 -65.04 1.01 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.223 0.453 . . . . 15.0 112.223 -178.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.74 -2.95 58.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.599 0.592 . . . . 15.0 112.599 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 8.9 mptt 60.59 25.62 15.32 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.717 0.407 . . . . 15.0 111.972 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.452 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 3.6 mm-40 -77.32 133.31 38.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.498 -0.319 . . . . 15.0 110.254 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -70.88 119.02 14.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.751 0.31 . . . . 15.0 110.283 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mp -79.9 132.8 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.796 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.563 HD23 ' H ' ' A' ' 40' ' ' ARG . 0.4 OUTLIER -76.49 155.94 33.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.066 -0.716 . . . . 15.0 109.066 178.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -50.55 -32.1 17.54 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.926 0.393 . . . . 15.0 111.412 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.563 ' H ' HD23 ' A' ' 38' ' ' LEU . 54.2 ttp180 -61.24 -45.0 96.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.67 -0.695 . . . . 15.0 111.259 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.98 -27.51 60.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.031 -0.531 . . . . 15.0 110.439 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 38' ' ' LEU . 98.2 t -64.89 -36.01 76.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.82 -0.627 . . . . 15.0 110.044 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -67.91 -35.02 77.73 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.047 -0.524 . . . . 15.0 110.06 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.65 -30.02 69.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.725 -0.67 . . . . 15.0 110.112 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -71.0 -34.06 71.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.139 -0.937 . . . . 15.0 110.61 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.43 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -84.43 -17.98 37.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.722 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -91.74 16.7 10.19 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.916 0.389 . . . . 15.0 111.292 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.91 154.3 38.09 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.475 -0.565 . . . . 15.0 109.475 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -78.14 78.02 4.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.436 0.636 . . . . 15.0 110.505 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.4 mt -116.02 160.43 20.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.731 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.29 155.72 31.29 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.078 0.466 . . . . 15.0 110.929 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.46 HD11 ' HA ' ' A' ' 12' ' ' LEU . 50.6 mt -87.45 126.86 41.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.529 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.9 t -93.4 119.21 40.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.314 -0.624 . . . . 15.0 109.314 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -93.65 111.97 23.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.23 0.538 . . . . 15.0 111.461 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.89 104.57 12.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.504 -0.771 . . . . 15.0 109.051 179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 t70 69.13 -70.46 0.14 Allowed 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.99 0.806 . . . . 15.0 111.053 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -162.45 33.73 0.33 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.787 -0.721 . . . . 15.0 112.576 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -138.23 145.66 48.3 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 110.365 -0.235 . . . . 15.0 110.365 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -69.57 118.97 6.0 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.75 2.3 . . . . 15.0 112.832 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.426 ' CE2' ' HG3' ' A' ' 29' ' ' GLU . 37.3 m-85 -131.93 147.11 52.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.027 179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -112.02 -176.46 2.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.761 0.315 . . . . 15.0 110.536 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 t -113.56 120.16 62.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.228 -0.656 . . . . 15.0 109.228 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 25.9 p -72.33 171.52 12.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.073 0.464 . . . . 15.0 111.095 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -63.51 -19.24 64.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.685 -0.688 . . . . 15.0 110.511 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -78.55 -58.92 3.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.859 -0.61 . . . . 15.0 111.033 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 16.6 m -72.72 -22.75 60.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.608 0.596 . . . . 15.0 112.608 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.464 0.264 0 N-CA-C 112.034 0.383 . . . . 15.0 112.034 -179.412 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.493 ' HB3' ' CE2' ' B' ' 54' ' ' TYR . 36.5 mtt-85 . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.822 0.344 . . . . 15.0 110.387 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.44 153.82 68.36 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.114 2.543 . . . . 15.0 113.191 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 49.2 mmt-85 -102.49 1.48 35.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.766 -0.652 . . . . 15.0 111.162 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -106.82 128.85 54.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.521 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.488 ' HA ' HD11 ' B' ' 52' ' ' ILE . 61.1 tp -54.01 -53.21 60.83 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.556 0.576 . . . . 15.0 112.556 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.9 Cg_endo -54.87 -42.71 66.3 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 122.005 1.803 . . . . 15.0 112.56 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.14 -36.45 72.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.684 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.422 HD23 HD11 ' B' ' 26' ' ' ILE . 30.0 tp -62.25 -41.28 98.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.488 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 54.3 m -62.52 -35.09 78.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.033 -0.53 . . . . 15.0 110.537 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -67.3 -37.18 82.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.919 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -69.6 -32.45 71.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.965 0.412 . . . . 15.0 110.753 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 67.0 mt -84.68 -0.16 52.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.575 . . . . 15.0 110.712 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 59.68 38.93 21.66 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.758 -0.656 . . . . 15.0 111.366 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 12.6 t -142.38 -173.1 3.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.307 -0.406 . . . . 15.0 110.297 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.0 p -109.95 169.76 8.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.937 0.398 . . . . 15.0 110.754 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.1 mt -66.32 -15.7 19.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.537 0.684 . . . . 15.0 110.444 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . 0.442 ' HA ' ' HD2' ' B' ' 39' ' ' ARG . 14.8 m170 -88.8 -4.84 58.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.754 -0.657 . . . . 15.0 111.59 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -125.42 -31.57 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.094 0.405 . . . . 15.0 112.094 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.422 HD11 HD23 ' B' ' 15' ' ' LEU . 15.8 tt -47.2 130.26 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.815 0.672 . . . . 15.0 112.815 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mm -85.07 125.52 40.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.668 -0.696 . . . . 15.0 109.441 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' B' ' 28' ' ' LEU . 3.5 tp -136.78 135.95 38.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.71 0.29 . . . . 15.0 110.641 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.64 161.76 17.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.89 -0.595 . . . . 15.0 109.939 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . 0.545 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 42.4 t -78.23 143.75 36.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.73 0.3 . . . . 15.0 110.257 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.2 p -80.31 -22.5 11.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.26 -0.427 . . . . 15.0 111.291 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -105.69 -46.81 4.06 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.945 -0.302 . . . . 15.0 111.408 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . 0.41 ' SG ' ' NZ ' ' B' ' 65' ' ' LYS . 11.4 m -83.11 -23.19 33.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.486 -0.324 . . . . 15.0 110.78 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.545 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 0.1 OUTLIER 61.2 24.5 14.6 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.62 -0.718 . . . . 15.0 112.132 179.43 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -105.39 168.67 8.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 15.0 109.869 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -70.34 131.61 44.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.671 0.272 . . . . 15.0 110.613 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.79 136.95 36.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.638 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.474 ' O ' HG23 ' B' ' 42' ' ' VAL . 61.4 mt -67.49 143.87 55.97 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.423 -0.584 . . . . 15.0 109.423 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.442 ' HD2' ' HA ' ' B' ' 24' ' ' HIS . 15.7 tpp180 -56.15 -36.41 68.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.61 -0.268 . . . . 15.0 111.164 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.438 ' HD3' ' CG ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -64.36 -38.03 89.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.843 179.545 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.89 -33.5 73.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.114 0.483 . . . . 15.0 110.104 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 38' ' ' LEU . 35.4 t -62.66 -34.33 64.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.953 -0.567 . . . . 15.0 109.622 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.64 -41.86 99.27 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.794 -0.639 . . . . 15.0 110.033 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.49 -39.59 88.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 15.0 110.045 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.12 -33.32 74.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.253 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.23 -15.58 43.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.935 -0.575 . . . . 15.0 110.912 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -84.83 -55.67 3.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.202 -0.453 . . . . 15.0 109.964 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -84.89 130.79 34.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.55 -0.537 . . . . 15.0 109.55 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -68.07 94.64 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.185 0.517 . . . . 15.0 111.372 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 43.4 mt -118.07 -173.39 2.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.604 -0.725 . . . . 15.0 110.171 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 5.1 m -127.37 144.45 51.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.453 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.488 HD11 ' HA ' ' B' ' 12' ' ' LEU . 51.5 mt -82.03 127.87 39.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.956 -0.566 . . . . 15.0 110.569 179.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.6 t -93.29 121.64 44.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' B' ' 8' ' ' ARG . 6.9 m-85 -93.68 125.88 38.54 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.096 0.474 . . . . 15.0 111.466 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -104.55 105.31 15.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.282 179.364 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 1.8 m-20 74.59 -44.43 0.55 Allowed 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.881 0.738 . . . . 15.0 111.599 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.01 -10.48 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.932 -0.576 . . . . 15.0 111.874 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -91.91 134.04 29.55 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 110.059 -0.349 . . . . 15.0 110.059 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -67.15 104.06 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.865 2.376 . . . . 15.0 112.956 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . 0.487 ' O ' HG23 ' B' ' 52' ' ' ILE . 7.2 m-30 -113.47 160.85 18.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.172 -0.467 . . . . 15.0 109.827 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.63 -163.8 1.3 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.941 0.401 . . . . 15.0 110.844 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . 0.413 HG13 ' HB2' ' B' ' 66' ' ' CYS . 11.4 t -121.4 124.88 72.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.927 -0.579 . . . . 15.0 110.001 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 27.4 p -80.77 173.11 12.93 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.11 -0.33 . . . . 15.0 110.11 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.2 -36.64 42.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.029 -0.532 . . . . 15.0 112.348 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.41 ' NZ ' ' SG ' ' B' ' 33' ' ' CYS . 4.8 mttp -60.99 -60.74 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.939 0.348 . . . . 15.0 111.939 -178.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . 0.413 ' HB2' HG13 ' B' ' 62' ' ' VAL . 0.0 OUTLIER -74.49 -23.23 58.82 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.994 0.368 . . . . 15.0 111.994 -178.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.14 -47.94 74.37 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.16 0.43 . . . . 15.0 112.16 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -79.37 -29.55 42.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.011 0.374 . . . . 15.0 112.011 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -77.09 -46.88 22.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 15.0 111.88 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.795 -0.621 . . . . 15.0 110.705 -178.519 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo . . . . . 0 CA--C 1.528 0.178 0 CA-C-O 121.127 0.386 . . . . 15.0 112.434 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -100.46 9.45 42.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 15.0 111.388 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -120.66 130.88 54.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.106 -0.497 . . . . 15.0 109.876 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.8 tp -53.19 -50.57 81.65 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 113.467 0.914 . . . . 15.0 113.467 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.6 Cg_endo -54.39 -35.79 85.55 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.29 1.993 . . . . 15.0 113.538 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -83.0 -29.69 28.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.577 0.227 . . . . 15.0 111.07 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.478 HD22 HD13 ' A' ' 52' ' ' ILE . 54.6 tp -65.46 -38.4 89.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.036 0.446 . . . . 15.0 110.03 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.9 m -62.1 -36.98 83.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.778 -0.647 . . . . 15.0 110.321 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -38.62 88.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 15.0 110.661 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -68.59 -32.81 72.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.185 0.517 . . . . 15.0 110.129 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.2 2.02 29.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.656 -0.702 . . . . 15.0 110.807 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 56.3 42.01 28.4 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.968 -0.56 . . . . 15.0 110.794 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -150.59 -173.74 4.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.99 -0.55 . . . . 15.0 110.72 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 p -112.14 173.01 6.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.697 0.284 . . . . 15.0 111.25 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -28.53 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 121.12 0.486 . . . . 15.0 110.666 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.49 49.17 1.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.859 -0.61 . . . . 15.0 109.485 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -168.39 -39.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.963 -178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 tt -63.91 128.1 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 115.795 -0.638 . . . . 15.0 111.247 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.0 mm -117.12 114.42 45.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.05 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -119.52 154.55 33.65 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.804 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -112.76 164.04 13.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.766 0.317 . . . . 15.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 52.5 t -70.19 144.34 51.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.82 -0.627 . . . . 15.0 111.019 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.3 p -76.8 -25.55 15.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.834 -0.621 . . . . 15.0 111.175 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -102.24 -50.17 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.645 0.259 . . . . 15.0 111.674 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 m -80.23 -21.96 42.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.444 -0.344 . . . . 15.0 111.465 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 6.4 mptt 59.98 30.76 20.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.936 -0.574 . . . . 15.0 110.82 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -104.46 141.55 36.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.648 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -70.25 126.65 30.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.703 0.287 . . . . 15.0 110.72 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 mp -76.69 149.12 36.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.802 -0.635 . . . . 15.0 111.295 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.446 ' HG ' ' H ' ' A' ' 39' ' ' ARG . 12.1 tp -97.1 167.87 10.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.605 -0.725 . . . . 15.0 110.149 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 41.2 ttt180 -53.8 -30.09 43.41 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.905 0.482 . . . . 15.0 112.212 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -63.87 -53.96 42.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.608 0.242 . . . . 15.0 111.554 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 1.4 pm0 -72.38 -30.33 64.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.497 -0.319 . . . . 15.0 111.169 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 38' ' ' LEU . 56.1 t -62.63 -39.1 83.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 109.75 -0.463 . . . . 15.0 109.75 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -72.22 -36.25 69.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 15.0 109.93 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -35.42 78.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.325 0.583 . . . . 15.0 109.883 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -66.99 -38.63 86.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.117 -0.947 . . . . 15.0 111.022 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.65 -21.66 30.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.771 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -71.84 -24.87 61.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.956 0.408 . . . . 15.0 110.597 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -116.7 169.7 9.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.396 -0.594 . . . . 15.0 109.396 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -91.24 89.59 7.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.098 0.475 . . . . 15.0 110.811 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.78 172.85 6.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.648 -0.706 . . . . 15.0 109.681 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.1 m -126.31 150.47 48.46 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.42 -0.215 . . . . 15.0 110.42 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.478 HD13 HD22 ' A' ' 15' ' ' LEU . 60.7 mt -80.75 132.15 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.922 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.24 114.93 34.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.96 -0.564 . . . . 15.0 110.33 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -96.65 111.65 23.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.33 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -92.04 108.91 20.28 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.599 -0.889 . . . . 15.0 108.599 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t70 72.43 -70.74 0.15 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.892 0.745 . . . . 15.0 110.911 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.0 22.97 0.19 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.019 -0.61 . . . . 15.0 111.906 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -125.96 133.82 25.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.414 -0.217 . . . . 15.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.21 119.86 6.25 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.503 2.135 . . . . 15.0 112.783 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -119.84 155.03 33.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 15.0 110.0 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.31 174.91 5.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.028 0.442 . . . . 15.0 111.144 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.6 t -101.32 122.06 52.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.608 -0.724 . . . . 15.0 109.315 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.3 p -79.58 -174.88 4.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.392 0.615 . . . . 15.0 111.676 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.404 ' HA ' HD12 ' A' ' 67' ' ' LEU . 13.9 t70 -67.79 -27.23 66.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.941 -1.027 . . . . 15.0 111.192 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -82.49 -51.14 8.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.049 0.452 . . . . 15.0 111.12 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.3 m -67.66 -19.48 65.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.002 -0.544 . . . . 15.0 111.327 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 64' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.463 0.191 0 CA-C-N 116.256 -0.429 . . . . 15.0 111.825 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.519 ' HB3' ' CZ ' ' B' ' 54' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.952 0.406 . . . . 15.0 110.972 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.556 ' HD3' ' OE1' ' B' ' 18' ' ' GLU . 21.2 Cg_exo -65.68 141.03 64.53 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.397 2.065 . . . . 15.0 111.656 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -85.14 13.99 5.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.03 0.443 . . . . 15.0 110.69 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -129.28 134.16 47.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 15.0 109.852 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 28.3 tp -55.14 -52.55 70.32 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 113.557 0.947 . . . . 15.0 113.557 -178.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.3 Cg_endo -53.67 -34.31 73.31 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.237 1.958 . . . . 15.0 112.862 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.34 -34.77 25.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.37 -0.377 . . . . 15.0 110.984 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.82 -37.75 85.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.322 -0.399 . . . . 15.0 110.624 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 45.3 m -62.63 -28.59 70.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.8 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -71.79 -42.19 67.41 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.702 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.556 ' OE1' ' HD3' ' B' ' 9' ' ' PRO . 3.5 mt-10 -66.73 -39.42 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.106 0.479 . . . . 15.0 110.398 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -77.27 -7.53 56.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.848 -0.614 . . . . 15.0 110.473 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 56.69 56.32 5.61 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.632 -0.713 . . . . 15.0 111.344 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.8 t -156.83 -171.11 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.783 -0.644 . . . . 15.0 109.339 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -115.55 174.91 5.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.728 0.299 . . . . 15.0 111.192 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.505 ' HA ' HG22 ' B' ' 26' ' ' ILE . 32.7 pt -73.9 4.65 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.67 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -104.15 -24.7 13.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.038 0.446 . . . . 15.0 110.246 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -107.12 -22.3 12.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.784 -0.644 . . . . 15.0 111.284 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.505 HG22 ' HA ' ' B' ' 23' ' ' ILE . 19.7 tt -65.54 131.54 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.447 0.642 . . . . 15.0 110.993 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 27.7 mm -121.93 121.82 65.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.782 -0.645 . . . . 15.0 110.224 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -125.76 160.12 30.6 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.624 -0.51 . . . . 15.0 109.624 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -122.22 155.63 35.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.53 0.205 . . . . 15.0 110.533 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' CYS . . . . . 0.728 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 45.1 t -68.18 145.16 54.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.097 -0.501 . . . . 15.0 110.933 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.479 HG23 ' HB2' ' B' ' 55' ' ' ARG . 6.7 p -76.92 -32.25 19.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.308 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -85.15 -71.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.122 0.416 . . . . 15.0 112.122 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 p -76.58 -16.1 59.68 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.585 0.231 . . . . 15.0 111.331 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.728 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 32.9 mttp 62.56 35.23 14.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.496 0.665 . . . . 15.0 111.385 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -91.99 146.8 23.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.813 -0.63 . . . . 15.0 109.721 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -72.97 122.41 21.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.713 0.292 . . . . 15.0 110.766 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -81.01 126.14 31.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.097 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.465 ' HG ' ' H ' ' B' ' 39' ' ' ARG . 13.7 tp -89.52 171.34 9.78 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.13 -0.486 . . . . 15.0 109.749 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.465 ' H ' ' HG ' ' B' ' 38' ' ' LEU . 1.8 ttt180 -48.44 -33.9 10.08 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 122.9 0.48 . . . . 15.0 111.518 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -59.67 -42.15 92.24 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.789 -0.641 . . . . 15.0 111.211 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.85 -35.07 26.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.65 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 38' ' ' LEU . 96.0 t -58.16 -42.18 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.073 0.463 . . . . 15.0 110.617 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -70.2 -38.78 75.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.647 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.88 -37.99 89.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.346 0.593 . . . . 15.0 109.884 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -64.22 -39.5 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.346 -0.843 . . . . 15.0 110.725 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.46 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -82.49 -12.86 57.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 15.0 111.739 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -69.49 -29.3 66.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.371 -0.377 . . . . 15.0 110.976 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -117.44 173.94 6.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.161 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -88.1 89.81 8.14 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.983 -0.747 . . . . 15.0 108.983 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.67 167.1 10.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.103 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 19.8 p -119.04 139.91 50.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.933 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.438 HG23 ' O ' ' B' ' 60' ' ' TYR . 19.4 mt -83.97 125.1 40.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.972 0.415 . . . . 15.0 110.657 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -93.03 136.53 24.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.657 -0.701 . . . . 15.0 110.216 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 53.9 m-85 -110.64 111.51 22.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.113 0.482 . . . . 15.0 111.79 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.479 ' HB2' HG23 ' B' ' 31' ' ' VAL . 4.6 tmm_? -94.8 122.44 37.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.617 -0.719 . . . . 15.0 109.126 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 18.3 t70 70.48 -70.64 0.15 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.046 0.841 . . . . 15.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.78 27.24 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.443 -0.663 . . . . 15.0 111.443 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -130.58 144.11 52.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 109.8 -0.445 . . . . 15.0 109.8 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.51 121.06 9.02 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.627 2.218 . . . . 15.0 112.551 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' TYR . . . . . 0.438 ' O ' HG23 ' B' ' 52' ' ' ILE . 29.2 m-85 -124.41 156.28 37.4 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.412 -0.588 . . . . 15.0 109.412 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' B' ' 30' ' ' CYS . . . -128.98 -177.16 4.1 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.813 0.34 . . . . 15.0 110.513 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.42 115.86 50.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.58 -0.896 . . . . 15.0 108.58 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 6.7 p -72.04 169.51 15.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.963 0.411 . . . . 15.0 111.316 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.481 ' HA ' HD12 ' B' ' 67' ' ' LEU . 30.3 t70 -57.58 -23.46 50.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.691 -0.686 . . . . 15.0 111.631 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.45 ' H ' ' HD3' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -78.99 -55.04 5.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.811 -0.631 . . . . 15.0 111.146 -179.355 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' B' ' 69' ' ' PHE . 24.6 m -74.7 -17.32 60.68 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.045 0.758 . . . . 15.0 113.045 -179.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' B' ' 64' ' ' ASP . 10.1 mt -53.62 -37.8 63.4 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.498 0.555 . . . . 15.0 112.498 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -11.68 59.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.33 . . . . 15.0 111.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' B' ' 66' ' ' CYS . 3.8 m-85 -75.34 -49.72 18.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.419 -0.355 . . . . 15.0 111.126 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.815 -179.105 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptt? . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 110.31 -0.256 . . . . 15.0 110.31 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.433 ' CE1' ' HG ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -149.3 95.86 2.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.1 0.476 . . . . 15.0 110.43 179.484 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -133.22 -171.01 2.58 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.7 -0.682 . . . . 15.0 109.726 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.502 ' CG ' ' HA ' ' A' ' 5' ' ' PRO . 25.3 t70 -48.78 144.3 7.27 Favored Pre-proline 0 N--CA 1.472 0.645 0 O-C-N 123.56 0.537 . . . . 15.0 110.642 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.502 ' HA ' ' CG ' ' A' ' 4' ' ' ASP . 6.1 Cg_exo -73.49 -4.5 16.17 Favored 'Cis proline' 0 C--N 1.349 0.59 0 C-N-CA 124.484 -1.048 . . . . 15.0 114.433 1.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 3' ' ' GLN . 2.4 mp0 -70.74 149.38 46.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.683 -0.488 . . . . 15.0 109.683 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -113.92 -5.83 13.2 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.612 0.227 . . . . 15.0 111.612 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 69.41 80.39 0.21 Allowed Pre-proline 0 N--CA 1.468 0.427 0 CA-C-O 121.088 0.471 . . . . 15.0 109.918 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.454 ' HD3' ' OE1' ' A' ' 18' ' ' GLU . 37.2 Cg_exo -61.64 153.84 64.26 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.629 2.219 . . . . 15.0 112.91 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -95.33 1.69 54.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.366 -0.834 . . . . 15.0 109.894 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 28.9 mmtp -117.91 139.56 50.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.674 -0.694 . . . . 15.0 110.742 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 25.2 tp -54.7 -54.38 49.83 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 112.863 0.69 . . . . 15.0 112.863 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 12.3 Cg_endo -56.02 -44.54 46.06 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.05 1.833 . . . . 15.0 112.638 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -68.79 -33.92 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 15.0 111.126 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.4 tp -60.66 -38.28 84.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.193 0.521 . . . . 15.0 109.695 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.0 m -70.15 -33.27 71.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.455 -0.793 . . . . 15.0 110.359 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 m -64.68 -47.5 78.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.288 -0.415 . . . . 15.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.454 ' OE1' ' HD3' ' A' ' 9' ' ' PRO . 8.7 mt-10 -68.79 -31.46 70.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.412 -0.358 . . . . 15.0 110.99 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.433 ' HG ' ' CE1' ' A' ' 2' ' ' PHE . 1.2 mt -80.23 -2.26 44.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 15.0 110.723 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 58.44 44.27 18.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.913 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.4 t -145.65 -174.41 4.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -111.95 166.56 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.447 -0.342 . . . . 15.0 110.469 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.415 ' HA ' HG22 ' A' ' 26' ' ' ILE . 18.1 mt -70.4 -13.8 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 15.0 110.093 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -87.22 -13.42 43.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 15.0 111.023 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -108.84 -38.39 5.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.857 0.317 . . . . 15.0 111.857 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.415 HG22 ' HA ' ' A' ' 23' ' ' ILE . 15.5 tt -66.63 126.05 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.357 0.599 . . . . 15.0 111.363 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.0 mm -113.42 122.03 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.991 -0.549 . . . . 15.0 109.657 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -102.35 159.95 14.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.756 0.312 . . . . 15.0 110.454 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -113.7 156.57 23.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.203 -0.453 . . . . 15.0 109.981 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 53.9 t -72.34 144.8 48.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.209 0.528 . . . . 15.0 110.625 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 p -82.18 -23.93 9.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.867 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -95.25 -61.33 1.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.627 0.603 . . . . 15.0 112.627 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.43 -10.51 43.53 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.801 -0.359 . . . . 15.0 111.656 -179.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 5.1 mptt 61.78 32.7 18.13 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.006 -0.543 . . . . 15.0 111.606 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.446 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 34.7 mm-40 -89.35 152.55 21.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.627 -0.508 . . . . 15.0 109.627 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -76.52 125.24 28.88 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.045 -0.354 . . . . 15.0 110.045 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mp -82.34 120.48 25.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.751 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -61.07 134.85 57.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.221 -0.659 . . . . 15.0 109.221 178.607 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -48.09 -39.04 19.08 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.405 0.44 . . . . 15.0 112.071 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -58.8 -39.99 82.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.05 0.452 . . . . 15.0 111.202 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -83.48 -22.4 32.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.845 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 38' ' ' LEU . 69.9 t -61.69 -33.67 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.142 0.496 . . . . 15.0 110.086 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -64.4 -23.65 67.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -67.01 -23.7 65.95 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.968 0.413 . . . . 15.0 110.194 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.77 -39.79 95.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.701 -0.682 . . . . 15.0 109.872 178.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.85 -28.94 24.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.346 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -67.23 -43.43 82.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.628 -0.715 . . . . 15.0 110.338 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -103.07 -173.95 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.953 -0.567 . . . . 15.0 110.043 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -95.82 95.61 8.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 15.0 110.546 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.31 142.1 33.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.405 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.6 p -108.59 156.86 19.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.108 -0.496 . . . . 15.0 109.891 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.4 mt -79.45 122.85 35.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.043 0.449 . . . . 15.0 110.256 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.1 t -91.07 120.29 39.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.623 -0.717 . . . . 15.0 109.983 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.04 109.11 20.88 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.945 0.402 . . . . 15.0 110.298 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 4.3 tmm_? -92.69 114.28 26.79 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.237 -0.653 . . . . 15.0 109.237 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.2 t70 70.99 -68.02 0.23 Allowed 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.989 0.806 . . . . 15.0 111.05 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.8 23.12 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.234 -0.507 . . . . 15.0 112.307 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -132.46 147.68 66.61 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.193 -0.299 . . . . 15.0 110.193 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -75.1 118.51 5.27 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.544 2.163 . . . . 15.0 112.738 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CE1' ' HB3' ' A' ' 55' ' ' ARG . 67.6 m-85 -120.55 164.74 16.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.843 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -127.37 170.36 12.6 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.388 -0.369 . . . . 15.0 110.43 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.6 t -101.99 119.29 50.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.137 -0.69 . . . . 15.0 109.137 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 22.9 p -73.09 171.38 13.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.153 0.502 . . . . 15.0 111.385 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.15 -23.13 67.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.49 -0.777 . . . . 15.0 110.524 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.92 -57.89 3.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.686 -0.688 . . . . 15.0 110.548 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.439 ' HA ' ' CD2' ' A' ' 69' ' ' PHE . 34.9 m -73.27 -15.39 61.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.587 -0.733 . . . . 15.0 112.738 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.68 -44.69 48.05 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.486 0.551 . . . . 15.0 112.486 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.465 ' H ' ' HG2' ' A' ' 68' ' ' LYS . 1.7 pttp -79.13 -11.88 59.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.326 0.491 . . . . 15.0 112.326 -178.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.439 ' CD2' ' HA ' ' A' ' 66' ' ' CYS . 15.6 m-30 -75.65 -35.3 60.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 15.0 110.041 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.847 -0.597 . . . . 15.0 110.573 -179.539 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 81.7 mmm . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.249 -0.278 . . . . 15.0 110.249 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.475 ' HB3' ' CD ' ' B' ' 8' ' ' ARG . 2.2 m-85 -144.2 127.16 16.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.643 0.259 . . . . 15.0 110.369 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -131.64 -176.5 4.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.378 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . 0.473 ' HB2' ' HA ' ' B' ' 5' ' ' PRO . 5.6 p-10 -72.28 159.28 85.81 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.788 -0.449 . . . . 15.0 109.788 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.473 ' HA ' ' HB2' ' B' ' 4' ' ' ASP . 6.9 Cg_endo -87.69 21.55 25.59 Favored 'Cis proline' 0 C--N 1.347 0.476 0 C-N-CA 124.631 -0.987 . . . . 15.0 113.575 0.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.457 ' HB3' ' OE2' ' B' ' 18' ' ' GLU . 9.3 mm100 -61.51 145.21 52.64 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.511 -0.551 . . . . 15.0 109.511 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -81.06 -36.52 30.36 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.282 -0.266 . . . . 15.0 110.282 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.475 ' CD ' ' HB3' ' B' ' 2' ' ' PHE . 48.7 mtm180 55.74 76.72 0.48 Allowed Pre-proline 0 C--O 1.234 0.24 0 CA-C-N 115.828 -0.624 . . . . 15.0 111.593 178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.464 ' HD3' ' OE1' ' B' ' 18' ' ' GLU . 59.4 Cg_endo -74.84 176.0 10.43 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.546 2.164 . . . . 15.0 111.925 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -99.89 2.34 43.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.9 0.381 . . . . 15.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 49.8 mttm -108.85 127.82 54.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.201 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.521 ' HA ' HD11 ' B' ' 52' ' ' ILE . 32.8 tp -54.38 -52.63 67.57 Favored Pre-proline 0 CA--C 1.535 0.392 0 N-CA-C 113.286 0.847 . . . . 15.0 113.286 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 8.8 Cg_endo -51.52 -45.25 38.82 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.249 1.966 . . . . 15.0 112.756 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -68.89 -37.41 79.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.999 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.52 -37.72 87.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.973 0.416 . . . . 15.0 110.174 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 55.8 m -64.03 -42.74 97.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.061 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.6 m -64.51 -38.75 92.1 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.09 -0.505 . . . . 15.0 110.67 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.464 ' OE1' ' HD3' ' B' ' 9' ' ' PRO . 23.2 tt0 -69.19 -37.64 78.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.505 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.48 ' HB3' HG22 ' B' ' 21' ' ' THR . 0.5 OUTLIER -78.08 -3.51 42.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.704 179.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 60.97 41.18 14.46 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.713 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.48 HG22 ' HB3' ' B' ' 19' ' ' LEU . 14.0 t -142.51 -173.63 3.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.779 -0.646 . . . . 15.0 109.977 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 58.2 p -111.96 169.79 8.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.778 0.323 . . . . 15.0 110.915 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 12.6 mt -69.62 -17.35 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.329 0.585 . . . . 15.0 110.364 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -82.53 -29.23 30.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.718 -0.674 . . . . 15.0 110.826 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -98.0 -25.32 15.01 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.706 0.632 . . . . 15.0 112.706 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.6 tt -61.05 138.11 22.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.313 0.578 . . . . 15.0 111.169 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mm -110.23 120.99 62.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.353 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.542 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.1 mp -119.4 148.23 43.46 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -114.98 151.79 33.53 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.324 -0.25 . . . . 15.0 110.324 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 50.7 t -76.61 138.34 40.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.09 0.471 . . . . 15.0 111.145 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' B' ' 60' ' ' TYR . 11.6 p -75.45 -18.86 15.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.689 -0.687 . . . . 15.0 110.54 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -104.49 -60.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.281 -0.418 . . . . 15.0 111.393 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -67.89 -24.41 65.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.429 -0.35 . . . . 15.0 111.284 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm 67.15 10.47 7.73 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.211 0.604 . . . . 15.0 111.189 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -98.04 170.94 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.709 -0.478 . . . . 15.0 109.709 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -84.93 131.01 34.55 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.86 0.362 . . . . 15.0 110.23 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mp -68.71 144.79 54.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.685 -0.689 . . . . 15.0 111.465 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.404 ' O ' HG23 ' B' ' 42' ' ' VAL . 15.4 mt -75.87 158.35 32.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.478 -0.783 . . . . 15.0 109.525 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -56.36 -37.34 69.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.991 0.424 . . . . 15.0 110.66 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -68.83 -34.92 76.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.778 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -70.88 -37.11 73.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.744 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 38' ' ' LEU . 59.8 t -64.17 -36.04 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.066 0.46 . . . . 15.0 109.827 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -65.77 -38.59 89.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.372 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -66.44 -42.15 88.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.847 -0.615 . . . . 15.0 109.885 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.59 -36.52 78.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.679 -0.691 . . . . 15.0 110.862 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.467 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -81.04 -17.94 48.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 15.0 111.238 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -84.25 -32.53 24.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.026 0.441 . . . . 15.0 110.289 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -86.52 160.1 19.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.021 -0.536 . . . . 15.0 110.264 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -83.74 45.88 1.11 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.866 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.96 162.15 13.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.58 . . . . 15.0 110.976 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 37.5 m -119.9 161.99 19.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.749 -0.66 . . . . 15.0 109.415 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.521 HD11 ' HA ' ' B' ' 12' ' ' LEU . 39.4 mt -80.12 126.21 39.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.825 0.345 . . . . 15.0 110.874 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.25 119.91 39.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.366 0.603 . . . . 15.0 109.938 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -93.72 110.51 22.14 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.694 -0.685 . . . . 15.0 110.246 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.474 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 3.3 mmm180 -122.77 130.61 53.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.449 -0.796 . . . . 15.0 109.071 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 9.5 t70 73.72 -26.67 0.19 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.727 0.642 . . . . 15.0 111.408 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' B' ' 55' ' ' ARG . . . 131.53 -6.99 5.59 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 111.627 -0.589 . . . . 15.0 111.627 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -103.34 137.09 19.16 Favored Pre-proline 0 C--N 1.32 -0.699 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.96 97.1 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.294 1.996 . . . . 15.0 111.576 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . 0.426 ' HB3' ' HB ' ' B' ' 31' ' ' VAL . 40.5 m-85 -96.33 156.62 16.26 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.052 -0.522 . . . . 15.0 110.066 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.542 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -130.94 -175.88 3.82 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.213 -0.449 . . . . 15.0 110.617 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.1 t -124.01 116.56 48.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.114 -0.698 . . . . 15.0 109.114 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.53 169.85 17.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.645 0.26 . . . . 15.0 110.743 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.77 -26.78 58.32 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.136 -0.484 . . . . 15.0 111.522 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 2.0 mppt? -62.86 -57.87 9.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.989 -0.55 . . . . 15.0 110.902 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -31.06 61.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.978 0.418 . . . . 15.0 111.123 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.8 mt -57.99 -34.68 70.24 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 112.892 0.701 . . . . 15.0 112.892 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 52.1 pttt -73.09 -20.95 60.85 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.678 -0.409 . . . . 15.0 111.635 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -77.72 -26.35 49.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.717 0.294 . . . . 15.0 111.388 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.669 -0.682 . . . . 15.0 111.003 -178.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.546 0.212 . . . . 15.0 111.267 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.79 143.75 26.21 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 110.129 -0.323 . . . . 15.0 110.129 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.4 -173.53 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.043 0.449 . . . . 15.0 110.891 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -126.57 139.29 34.35 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.978 -0.555 . . . . 15.0 110.065 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -87.72 -54.99 0.14 OUTLIER 'Cis proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.736 -1.36 . . . . 15.0 112.699 -0.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 65.71 9.56 6.06 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.945 -0.571 . . . . 15.0 111.61 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 70.93 -46.44 0.63 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.383 0.673 . . . . 15.0 111.639 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.0 mtm-85 65.45 75.59 0.34 Allowed Pre-proline 0 C--O 1.234 0.241 0 C-N-CA 123.171 0.588 . . . . 15.0 110.662 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.3 141.09 97.28 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.691 2.26 . . . . 15.0 112.083 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -96.34 14.42 24.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.667 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -119.24 128.75 54.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 15.0 110.512 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.52 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 44.0 tp -54.1 -51.06 80.71 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 113.361 0.874 . . . . 15.0 113.361 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.6 Cg_endo -54.07 -34.97 79.99 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.134 1.889 . . . . 15.0 113.092 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -83.27 -30.41 27.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 15.0 110.957 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.42 HD22 HD13 ' A' ' 52' ' ' ILE . 41.6 tp -64.92 -34.1 77.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 15.0 110.575 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.1 m -56.65 -35.92 68.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.686 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -33.99 75.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.912 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -67.18 -42.26 84.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.054 0.454 . . . . 15.0 110.313 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mp -81.92 -4.64 57.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.898 -0.592 . . . . 15.0 111.575 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 59.79 51.07 6.4 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.184 0.516 . . . . 15.0 110.275 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.496 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 14.6 t -152.06 179.64 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.835 -0.621 . . . . 15.0 110.273 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.9 p -106.13 175.68 5.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.716 0.293 . . . . 15.0 110.508 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mt -73.16 -9.8 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.421 0.629 . . . . 15.0 110.614 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -99.11 -2.88 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.598 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.496 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 11.5 t70 -132.6 -1.6 3.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.458 -0.337 . . . . 15.0 111.754 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 tt -75.72 111.38 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.648 0.737 . . . . 15.0 111.022 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.7 mm -89.65 90.58 3.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.654 -0.703 . . . . 15.0 110.137 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.662 HD23 ' HB2' ' A' ' 61' ' ' ALA . 5.0 tp -101.92 143.44 31.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.146 -0.479 . . . . 15.0 109.972 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -105.92 155.16 19.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.375 -0.375 . . . . 15.0 111.119 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 28.9 t -70.27 143.94 51.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.865 -0.607 . . . . 15.0 111.238 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.16 -34.02 67.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.782 -0.645 . . . . 15.0 111.944 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.619 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 41.3 m-85 -105.71 -48.37 3.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.411 0.523 . . . . 15.0 112.411 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.418 ' HB2' ' HG2' ' A' ' 35' ' ' GLN . 3.3 m -75.59 -26.38 57.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.698 0.285 . . . . 15.0 110.856 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 54.2 mttp 63.01 21.08 12.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.649 -0.705 . . . . 15.0 111.005 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.418 ' HG2' ' HB2' ' A' ' 33' ' ' CYS . 3.9 pt20 -91.17 150.79 21.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.191 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -72.94 121.33 19.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.164 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.78 136.69 45.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.783 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 42' ' ' VAL . 21.2 mt -77.27 158.66 30.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.622 -0.51 . . . . 15.0 109.622 179.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -59.12 -18.35 34.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.047 -0.524 . . . . 15.0 112.176 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.523 ' HB3' ' OE2' ' A' ' 41' ' ' GLU . 9.8 ttp180 -72.17 -51.52 20.87 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.956 0.408 . . . . 15.0 110.361 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.523 ' OE2' ' HB3' ' A' ' 40' ' ' ARG . 1.1 pm0 -68.98 -33.38 73.59 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 38' ' ' LEU . 79.9 t -62.64 -37.92 80.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 15.0 110.179 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -62.65 -43.03 99.84 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.281 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.92 -35.57 81.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.249 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -69.43 -33.49 73.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.721 -0.672 . . . . 15.0 110.633 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -80.05 -32.24 39.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.941 0.401 . . . . 15.0 111.281 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -73.14 -52.41 14.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.657 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -81.51 135.66 35.6 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.604 -0.517 . . . . 15.0 109.604 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -74.94 97.39 3.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.203 0.525 . . . . 15.0 110.513 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.7 mt -115.83 -175.46 2.73 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.617 -0.719 . . . . 15.0 109.634 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.94 135.22 54.41 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.416 -0.356 . . . . 15.0 110.158 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.439 HD11 ' HA ' ' A' ' 12' ' ' LEU . 56.9 mt -80.35 127.17 39.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.197 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.2 m -92.14 119.06 38.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.217 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -93.68 109.08 20.74 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 110.04 -0.356 . . . . 15.0 110.04 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.48 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -83.43 105.13 14.12 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.637 -0.875 . . . . 15.0 108.637 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 20.6 t70 75.92 -46.94 0.56 Allowed 'General case' 0 N--CA 1.47 0.543 0 O-C-N 124.18 0.925 . . . . 15.0 110.666 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.58 -15.31 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 116.009 -0.542 . . . . 15.0 111.889 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -88.71 140.49 29.64 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 120.651 0.262 . . . . 15.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -70.99 109.44 2.55 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.521 2.147 . . . . 15.0 111.901 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -111.83 148.01 34.51 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.18 -0.464 . . . . 15.0 110.219 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.662 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -106.16 165.94 10.87 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.121 -0.491 . . . . 15.0 110.64 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -106.82 112.13 38.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.087 -0.708 . . . . 15.0 109.087 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.543 ' SG ' ' HB3' ' A' ' 65' ' ' LYS . 28.7 p -69.18 169.65 11.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.86 0.362 . . . . 15.0 110.461 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.35 -21.75 65.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.244 0.545 . . . . 15.0 110.342 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.543 ' HB3' ' SG ' ' A' ' 63' ' ' CYS . 0.3 OUTLIER -76.9 -57.47 3.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.208 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 85.2 m -69.73 -18.71 63.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.893 -0.594 . . . . 15.0 111.456 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 tp -60.99 -30.49 70.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.271 0.558 . . . . 15.0 110.493 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -81.84 -13.95 56.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.747 -0.66 . . . . 15.0 110.839 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -77.23 -52.29 9.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 15.0 111.402 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 . . . . . 0 C--O 1.244 0.81 0 CA-C-O 118.523 -0.751 . . . . 15.0 111.136 -179.077 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.483 ' HA ' ' OD1' ' B' ' 58' ' ' ASN . 32.7 ttp . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.182 -0.303 . . . . 15.0 110.182 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -113.55 171.35 7.62 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.21 -0.293 . . . . 15.0 110.21 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -144.84 171.48 14.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.926 0.393 . . . . 15.0 110.968 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.74 146.06 98.3 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.925 -0.58 . . . . 15.0 109.886 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -97.31 36.76 6.72 Favored 'Cis proline' 0 C--N 1.349 0.555 0 C-N-CA 124.603 -0.999 . . . . 15.0 113.922 0.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.508 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 59.0 mt-30 -77.06 111.48 12.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.763 -0.458 . . . . 15.0 109.763 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' B' ' 8' ' ' ARG . 4.6 mm-40 -77.36 -20.39 54.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 15.0 111.483 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.508 ' HD3' ' O ' ' B' ' 6' ' ' GLN . 0.2 OUTLIER 73.4 132.94 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.548 0 O-C-N 123.827 0.704 . . . . 15.0 111.633 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.9 -166.03 0.36 Allowed 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.878 2.385 . . . . 15.0 112.059 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -126.66 0.52 6.79 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 122.04 -0.412 . . . . 15.0 111.578 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -124.15 139.46 53.91 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.163 -0.31 . . . . 15.0 110.163 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 26.2 tp -52.19 -52.69 60.12 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 113.018 0.747 . . . . 15.0 113.018 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 7.7 Cg_endo -51.27 -34.08 47.83 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.683 2.255 . . . . 15.0 112.987 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -79.83 -31.45 40.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 15.0 110.98 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.407 HD22 HD13 ' B' ' 52' ' ' ILE . 57.8 tp -68.47 -38.33 80.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.85 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 0.487 ' SG ' HG12 ' B' ' 23' ' ' ILE . 64.4 m -59.04 -39.88 83.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.289 -0.414 . . . . 15.0 110.767 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -35.33 80.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 15.0 111.153 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.51 -30.74 70.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.626 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -92.73 1.52 57.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.155 -0.475 . . . . 15.0 110.544 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 56.5 47.89 17.82 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.826 -0.625 . . . . 15.0 111.198 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 15.2 t -150.29 179.42 8.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.007 -0.542 . . . . 15.0 109.846 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 34.6 p -103.26 -179.69 4.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.814 0.34 . . . . 15.0 110.735 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.487 HG12 ' SG ' ' B' ' 16' ' ' CYS . 4.9 mt -81.17 -5.37 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.33 0.586 . . . . 15.0 110.568 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -83.79 -20.96 32.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.711 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -148.2 87.89 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.725 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.1 tt -139.01 140.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.987 -0.551 . . . . 15.0 110.285 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 39.0 mm -80.3 94.6 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.924 -0.398 . . . . 15.0 109.924 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -127.8 133.37 49.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.988 -0.551 . . . . 15.0 110.594 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -127.47 170.18 12.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.351 -0.386 . . . . 15.0 110.792 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 43.9 t -80.03 144.58 33.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.98 -0.554 . . . . 15.0 110.736 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 p -76.26 -27.86 17.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.622 -0.717 . . . . 15.0 111.856 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -106.77 -50.87 3.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.206 0.447 . . . . 15.0 112.206 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -76.84 -23.43 52.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.751 -0.204 . . . . 15.0 111.195 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.9 tptp 65.79 16.79 10.64 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.549 0.69 . . . . 15.0 110.539 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' B' ' 35' ' ' GLN . 5.8 tp-100 -86.57 136.89 32.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.69 -0.686 . . . . 15.0 109.948 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -69.35 124.52 24.08 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.25 -0.648 . . . . 15.0 109.25 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -70.97 139.44 50.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.202 0.525 . . . . 15.0 111.191 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.475 ' O ' HG23 ' B' ' 42' ' ' VAL . 13.1 mt -83.59 162.55 20.79 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.58 -0.896 . . . . 15.0 108.58 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -56.77 -32.44 65.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.733 0.302 . . . . 15.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -62.52 -36.98 84.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.992 -0.549 . . . . 15.0 110.663 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -82.7 -39.19 22.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.324 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 38' ' ' LEU . 60.0 t -64.71 -35.33 74.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.366 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -34.53 75.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.895 -0.593 . . . . 15.0 111.193 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -70.4 -39.81 74.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.194 0.521 . . . . 15.0 110.006 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -65.67 -33.37 75.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.519 -0.764 . . . . 15.0 110.662 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.456 ' HB2' HG21 ' B' ' 23' ' ' ILE . . . -77.21 -30.04 54.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.313 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -80.81 -54.15 5.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.09 -0.505 . . . . 15.0 110.746 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -88.19 119.6 28.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.193 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.03 105.88 0.26 Allowed 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.876 -0.602 . . . . 15.0 111.647 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.8 mt -132.48 160.38 36.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.669 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.79 139.6 33.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.993 0.425 . . . . 15.0 111.42 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.457 HD11 ' HA ' ' B' ' 12' ' ' LEU . 53.0 mt -81.88 135.9 24.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.727 -0.669 . . . . 15.0 110.203 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 39.8 t -100.45 114.0 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.24 -0.437 . . . . 15.0 109.932 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -99.3 110.38 22.9 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.795 0.331 . . . . 15.0 110.99 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -89.07 108.43 19.59 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.116 -0.698 . . . . 15.0 109.116 179.388 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 9.7 m-20 73.52 -72.2 0.12 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 124.105 0.878 . . . . 15.0 110.282 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.37 21.51 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.166 -0.54 . . . . 15.0 111.914 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.548 ' HB3' ' CE2' ' B' ' 60' ' ' TYR . 23.3 t30 -117.27 136.0 23.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 110.2 -0.296 . . . . 15.0 110.2 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 7.0 Cg_exo -72.71 117.52 5.16 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.784 2.323 . . . . 15.0 112.996 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' B' ' 58' ' ' ASN . 65.6 m-85 -127.92 145.31 51.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.141 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.61 176.31 5.17 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.115 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 14.8 t -96.93 112.1 28.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.83 -0.804 . . . . 15.0 108.83 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' B' ' 65' ' ' LYS . 29.2 p -72.23 171.55 11.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.084 0.469 . . . . 15.0 111.142 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -61.22 -26.63 67.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.462 -0.79 . . . . 15.0 110.177 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.435 ' HB2' ' SG ' ' B' ' 63' ' ' CYS . 4.8 mtpm? -73.11 -52.55 13.83 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.872 -0.604 . . . . 15.0 110.223 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 72.8 m -66.81 -32.43 73.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 15.0 111.025 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.0 -30.98 72.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.249 0.547 . . . . 15.0 109.898 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -80.68 -23.95 39.25 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.487 -0.779 . . . . 15.0 110.185 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -77.34 -49.34 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 15.0 111.18 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.588 -0.72 . . . . 15.0 110.995 -178.659 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.564 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 52.8 ttp . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.519 0.199 . . . . 15.0 110.481 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -94.88 158.45 15.48 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 110.203 -0.295 . . . . 15.0 110.203 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.47 162.54 32.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.433 -0.349 . . . . 15.0 111.175 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.463 ' CG ' ' HA ' ' A' ' 5' ' ' PRO . 16.8 t70 -62.43 146.61 93.19 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.955 -0.566 . . . . 15.0 109.908 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HA ' ' CG ' ' A' ' 4' ' ' ASP . 73.1 Cg_endo -93.43 28.14 17.48 Favored 'Cis proline' 0 N--CA 1.458 -0.576 0 C-N-CA 124.266 -1.139 . . . . 15.0 113.82 0.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -78.14 99.92 6.38 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.414 -0.587 . . . . 15.0 109.414 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.662 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 5.9 mm-40 -81.34 10.02 6.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.927 -0.579 . . . . 15.0 112.363 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.662 ' NH1' ' HA ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER 69.89 143.66 0.09 OUTLIER Pre-proline 0 N--CA 1.468 0.439 0 CA-C-O 121.174 0.511 . . . . 15.0 111.44 178.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -79.35 -153.05 0.04 OUTLIER 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.399 2.066 . . . . 15.0 111.897 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -122.33 -46.01 2.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.851 0.315 . . . . 15.0 111.851 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -106.9 163.9 12.57 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.174 0.511 . . . . 15.0 111.991 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.647 ' HA ' HD11 ' A' ' 52' ' ' ILE . 35.6 tp -60.4 -49.32 90.83 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.181 -0.918 . . . . 15.0 113.188 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.5 Cg_endo -50.79 -36.53 52.18 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.276 1.984 . . . . 15.0 112.413 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.594 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 9.0 mt-30 -73.12 -44.93 59.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.48 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.2 tp -57.54 -35.45 70.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.7 -0.682 . . . . 15.0 111.287 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.545 ' SG ' HG12 ' A' ' 23' ' ' ILE . 48.2 m -60.59 -41.14 94.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.039 0.447 . . . . 15.0 110.161 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.5 m -70.65 -40.64 72.91 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.988 -0.551 . . . . 15.0 110.755 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 17.6 mm-40 -62.85 -33.62 75.63 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.167 0.508 . . . . 15.0 110.083 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -85.9 0.22 53.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.683 -0.69 . . . . 15.0 110.982 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 58.33 46.79 14.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.068 -0.514 . . . . 15.0 111.222 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 t -151.74 -171.19 3.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.123 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -113.49 176.12 5.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.774 0.321 . . . . 15.0 110.511 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.545 HG12 ' SG ' ' A' ' 16' ' ' CYS . 4.4 mt -76.55 -3.7 5.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.313 0.578 . . . . 15.0 110.711 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -96.27 -19.43 19.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.225 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -128.95 20.25 5.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.102 0.477 . . . . 15.0 111.292 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 tt -82.59 131.91 32.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.255 0.55 . . . . 15.0 110.654 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -100.57 115.9 42.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.922 -0.581 . . . . 15.0 110.271 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tp -129.37 151.63 49.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.181 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -125.01 159.81 30.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.618 0.247 . . . . 15.0 110.523 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.4 t -72.25 143.99 48.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.102 0.477 . . . . 15.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -77.42 -23.4 14.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.698 -0.683 . . . . 15.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -107.12 -53.84 2.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.811 0.338 . . . . 15.0 111.901 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.6 m -78.44 -20.8 50.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.242 -0.435 . . . . 15.0 111.976 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 tptp 64.63 13.97 8.68 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.785 0.802 . . . . 15.0 109.981 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -79.07 141.8 37.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.437 -0.801 . . . . 15.0 109.964 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -72.31 119.0 15.89 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.915 -0.402 . . . . 15.0 109.915 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.439 ' HG ' ' HG3' ' A' ' 41' ' ' GLU . 7.5 mp -73.21 129.12 37.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.721 -0.672 . . . . 15.0 110.921 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.509 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 65.8 mt -82.46 170.16 15.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.974 -0.557 . . . . 15.0 109.977 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -61.58 -20.23 63.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.537 -0.301 . . . . 15.0 111.683 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HB3' ' OE1' ' A' ' 41' ' ' GLU . 6.8 ttp180 -67.21 -53.35 31.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.924 0.393 . . . . 15.0 110.347 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 1.2 pm0 -69.27 -29.84 67.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.435 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 38' ' ' LEU . 59.3 t -63.19 -42.8 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.2 -0.667 . . . . 15.0 109.2 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -68.65 -37.41 79.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.91 -0.586 . . . . 15.0 109.754 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -34.67 78.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.333 0.587 . . . . 15.0 109.696 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -69.69 -47.83 61.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.603 -0.726 . . . . 15.0 109.621 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.53 -19.53 65.31 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.861 -0.609 . . . . 15.0 111.471 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.23 -13.71 61.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.116 0.484 . . . . 15.0 110.656 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 61.1 mtt85 -126.28 -179.83 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.0 -0.545 . . . . 15.0 109.876 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.83 70.13 0.71 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.195 0.521 . . . . 15.0 110.277 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.26 159.87 14.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.562 -0.744 . . . . 15.0 110.62 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.9 p -99.97 146.91 26.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.942 -0.572 . . . . 15.0 110.08 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.647 HD11 ' HA ' ' A' ' 12' ' ' LEU . 76.0 mt -81.12 137.78 20.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.144 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 t -99.99 111.14 28.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.929 0.395 . . . . 15.0 110.088 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -96.8 109.05 21.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.385 -0.371 . . . . 15.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.4 114.37 28.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.066 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 71.3 -7.44 1.17 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.857 0.723 . . . . 15.0 111.964 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.79 -8.46 10.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.801 -0.714 . . . . 15.0 112.254 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.564 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 5.3 t30 -86.6 141.38 34.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.694 -0.484 . . . . 15.0 109.694 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 5.9 Cg_exo -75.2 96.48 1.03 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.558 2.172 . . . . 15.0 112.332 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -112.13 161.61 16.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.239 0.542 . . . . 15.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -145.56 -178.23 5.98 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.722 -0.672 . . . . 15.0 109.818 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 m -99.05 123.24 51.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.504 -0.554 . . . . 15.0 109.504 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.2 p -74.73 177.67 6.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.09 0.471 . . . . 15.0 110.613 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.19 -24.16 64.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.794 -0.639 . . . . 15.0 110.05 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -78.88 -57.68 3.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.348 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 84.1 m -56.9 -37.67 71.73 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 115.588 -0.733 . . . . 15.0 111.662 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -54.55 -42.35 70.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.11 0.481 . . . . 15.0 111.129 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -81.79 -33.93 30.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.71 -0.677 . . . . 15.0 111.921 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.6 m-30 -75.41 -28.96 59.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.524 0.564 . . . . 15.0 112.524 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.731 -0.652 . . . . 15.0 110.76 -179.315 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.452 ' HA ' ' OD1' ' B' ' 58' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.069 -0.345 . . . . 15.0 110.069 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.487 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -110.76 120.71 43.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.97 0.414 . . . . 15.0 110.438 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.443 ' HA ' ' NH1' ' B' ' 8' ' ' ARG . 0.0 OUTLIER -139.93 -175.93 4.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.872 -0.604 . . . . 15.0 110.031 -179.548 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . 0.476 ' OD1' ' HA ' ' B' ' 5' ' ' PRO . 29.0 t70 -45.46 140.9 3.96 Favored Pre-proline 0 N--CA 1.471 0.608 0 O-C-N 123.833 0.708 . . . . 15.0 111.72 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.476 ' HA ' ' OD1' ' B' ' 4' ' ' ASP . 83.3 Cg_endo -79.52 -4.41 38.96 Favored 'Cis proline' 0 C--N 1.347 0.452 0 C-N-CA 123.928 -1.28 . . . . 15.0 113.995 1.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.41 ' HG3' ' HB3' ' B' ' 18' ' ' GLU . 1.9 mp0 -63.77 120.65 12.27 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.943 -0.392 . . . . 15.0 109.943 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -87.24 -16.67 34.57 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.303 -0.408 . . . . 15.0 111.483 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' B' ' 2' ' ' PHE . 0.5 OUTLIER 69.17 86.35 0.12 Allowed Pre-proline 0 N--CA 1.464 0.253 0 O-C-N 123.525 0.515 . . . . 15.0 111.285 179.282 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.61 177.32 8.87 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.509 2.139 . . . . 15.0 111.417 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -107.65 10.5 29.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.821 0.343 . . . . 15.0 110.93 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' B' ' 11' ' ' LYS . 69.3 mmtt -125.08 129.75 50.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 15.0 110.069 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 53.4 tp -52.05 -52.62 60.22 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 114.099 1.148 . . . . 15.0 114.099 -177.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 10.3 Cg_endo -52.46 -35.97 68.05 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.262 1.975 . . . . 15.0 112.951 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -79.94 -30.62 39.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.823 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.13 -35.53 79.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.117 0.484 . . . . 15.0 110.241 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 0.44 ' SG ' HG12 ' B' ' 23' ' ' ILE . 57.4 m -61.15 -41.67 97.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.66 -0.7 . . . . 15.0 110.788 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -39.15 92.51 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.374 -0.375 . . . . 15.0 110.951 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.41 ' HB3' ' HG3' ' B' ' 6' ' ' GLN . 4.5 mt-10 -65.74 -40.84 92.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.743 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.5 -7.98 57.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.209 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 65.71 37.76 5.61 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.555 -0.748 . . . . 15.0 111.827 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -143.92 -174.05 4.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.297 -0.41 . . . . 15.0 110.209 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 49.0 p -114.7 172.74 6.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.949 0.404 . . . . 15.0 111.757 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.478 ' HA ' HG22 ' B' ' 26' ' ' ILE . 9.4 mt -71.68 -5.46 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.029 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -97.6 -2.86 40.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.174 -0.467 . . . . 15.0 110.804 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -128.14 -34.92 2.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.769 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.478 HG22 ' HA ' ' B' ' 23' ' ' ILE . 20.3 tt -62.71 127.14 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 121.355 0.598 . . . . 15.0 111.706 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 49.9 mm -114.49 121.15 66.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.551 . . . . 15.0 109.664 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 mp -112.96 160.68 17.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.311 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -110.07 156.47 20.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.645 -0.252 . . . . 15.0 110.506 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . 0.582 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 52.5 t -72.15 144.09 48.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.077 0.465 . . . . 15.0 109.898 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.7 p -80.14 -22.96 11.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.169 -0.469 . . . . 15.0 111.083 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.407 ' HB2' ' SG ' ' B' ' 66' ' ' CYS . 61.1 m-85 -106.44 -49.48 3.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.896 -0.322 . . . . 15.0 111.524 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 m -81.99 -22.69 36.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.916 0.389 . . . . 15.0 110.496 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.582 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 5.7 mptt 62.59 20.36 11.94 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.405 -0.816 . . . . 15.0 111.302 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -92.12 156.65 17.21 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.542 -0.54 . . . . 15.0 109.542 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -74.68 126.74 31.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.999 0.428 . . . . 15.0 111.163 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -85.01 129.58 34.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.827 -0.624 . . . . 15.0 110.407 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.527 ' O ' HG23 ' B' ' 42' ' ' VAL . 68.6 mt -76.96 156.81 31.69 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.347 -0.612 . . . . 15.0 109.347 179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -52.43 -29.33 23.91 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.156 0.285 . . . . 15.0 111.177 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -59.78 -49.04 79.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.389 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.411 ' H ' ' HG2' ' B' ' 41' ' ' GLU . 0.0 OUTLIER -71.3 -32.23 68.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.126 0.489 . . . . 15.0 109.785 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.527 HG23 ' O ' ' B' ' 38' ' ' LEU . 48.4 t -64.97 -34.88 73.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.68 -0.691 . . . . 15.0 110.491 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -66.8 -37.16 84.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.448 -0.342 . . . . 15.0 110.151 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -67.39 -31.11 71.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 15.0 109.872 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -62.45 -34.9 77.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.621 -0.718 . . . . 15.0 109.847 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.09 -24.29 24.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.651 -0.704 . . . . 15.0 110.7 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -74.6 -42.2 59.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.477 -0.783 . . . . 15.0 110.689 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -100.26 162.8 12.73 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.02 -0.536 . . . . 15.0 109.755 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -81.85 104.44 12.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.943 0.401 . . . . 15.0 110.462 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.8 mt -134.5 170.57 15.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.808 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.06 152.88 46.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.749 -0.66 . . . . 15.0 109.65 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 53.8 mt -80.37 128.77 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.072 0.463 . . . . 15.0 110.621 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.51 131.91 40.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.689 -0.687 . . . . 15.0 109.33 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -111.44 115.34 29.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.225 0.536 . . . . 15.0 111.542 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 6.1 tmm_? -103.39 113.28 26.64 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.696 -0.853 . . . . 15.0 108.696 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 0.7 OUTLIER 70.94 -77.53 0.05 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.92 0.762 . . . . 15.0 110.675 -179.524 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -160.12 23.77 0.28 Allowed Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.676 -0.57 . . . . 15.0 111.676 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.452 ' OD1' ' HA ' ' B' ' 1' ' ' MET . 6.5 m-20 -126.2 138.68 32.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.38 0.133 . . . . 15.0 110.779 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -74.78 117.6 4.99 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.654 2.236 . . . . 15.0 111.757 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 7.0 m-30 -115.24 171.38 7.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.206 -0.452 . . . . 15.0 110.115 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -128.64 -179.55 5.12 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.905 -0.589 . . . . 15.0 110.368 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 t -116.0 122.85 70.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.816 -0.629 . . . . 15.0 109.38 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 23.1 p -77.18 175.5 9.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.974 0.416 . . . . 15.0 111.112 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.03 -26.45 67.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.952 -0.567 . . . . 15.0 111.241 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -71.94 -59.08 2.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.013 -0.54 . . . . 15.0 111.33 -179.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 3.2 m -73.2 -22.71 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.578 0.584 . . . . 15.0 112.578 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 0.5 OUTLIER -50.62 -48.06 58.16 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.262 0.468 . . . . 15.0 112.262 -178.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.41 ' HG2' ' H ' ' B' ' 68' ' ' LYS . 26.5 pttt -79.99 -23.34 41.63 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.946 0.35 . . . . 15.0 111.946 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -77.35 -44.12 30.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.926 0.394 . . . . 15.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.314 -0.85 . . . . 15.0 111.076 -179.033 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 ptm . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.736 -0.468 . . . . 15.0 109.736 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -134.67 86.66 2.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.283 0.563 . . . . 15.0 110.818 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -125.1 -165.19 1.37 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.411 -0.813 . . . . 15.0 109.567 179.605 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -52.82 143.85 28.54 Favored Pre-proline 0 N--CA 1.467 0.401 0 O-C-N 123.367 0.417 . . . . 15.0 111.019 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -86.11 -0.28 64.51 Favored 'Cis proline' 0 C--N 1.346 0.395 0 C-N-CA 123.684 -1.382 . . . . 15.0 112.896 -0.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' GLN . 2.5 mp0 -59.75 126.33 27.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -96.77 -3.93 41.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.858 -0.61 . . . . 15.0 110.945 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 66.49 74.83 0.34 Allowed Pre-proline 0 N--CA 1.465 0.29 0 CA-C-N 115.757 -0.656 . . . . 15.0 110.34 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.41 ' CD ' ' HG3' ' A' ' 18' ' ' GLU . 25.4 Cg_exo -62.61 157.7 45.53 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.649 2.233 . . . . 15.0 112.055 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -96.85 1.37 50.53 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.537 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -118.5 136.17 53.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.463 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.544 HD21 HG13 ' A' ' 42' ' ' VAL . 14.3 tp -55.36 -50.49 86.44 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 113.788 1.032 . . . . 15.0 113.788 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.1 Cg_endo -54.74 -43.13 62.08 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.132 1.888 . . . . 15.0 113.088 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -72.58 -30.47 64.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 15.0 110.772 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.488 HD23 HD11 ' A' ' 26' ' ' ILE . 31.5 tp -64.82 -34.18 77.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.031 0.443 . . . . 15.0 109.893 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.3 m -60.99 -39.77 90.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.168 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -64.77 -35.47 81.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.506 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' HG3' ' CD ' ' A' ' 9' ' ' PRO . 6.0 mm-40 -68.14 -36.59 79.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 15.0 110.303 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.4 mt -81.38 -6.81 59.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.991 -0.549 . . . . 15.0 110.647 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 63.1 40.37 9.11 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.768 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -145.42 -172.71 3.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.845 -0.616 . . . . 15.0 109.733 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.2 p -106.42 175.11 5.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.737 0.303 . . . . 15.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.415 ' H ' HG13 ' A' ' 23' ' ' ILE . 2.1 mt -72.29 1.39 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.132 0.491 . . . . 15.0 111.221 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -100.47 -7.98 23.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.071 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -123.4 -12.5 7.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.982 0.364 . . . . 15.0 111.982 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.488 HD11 HD23 ' A' ' 15' ' ' LEU . 10.0 tt -68.79 118.35 12.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.521 . . . . 15.0 110.974 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.6 mm -110.75 118.09 56.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.936 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -124.31 160.78 27.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.982 -0.553 . . . . 15.0 109.621 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -115.59 155.64 27.25 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 121.264 -0.174 . . . . 15.0 110.823 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 50.6 t -67.3 139.97 57.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 15.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.445 HG11 HG21 ' A' ' 53' ' ' VAL . 7.2 p -72.17 -31.21 38.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.631 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -95.62 -48.4 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.037 0.384 . . . . 15.0 112.037 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.2 m -83.09 -21.56 33.66 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.184 0.439 . . . . 15.0 112.184 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 4.4 mptt 58.65 45.13 16.43 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.578 0.704 . . . . 15.0 111.008 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -122.49 139.68 53.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.42 -0.809 . . . . 15.0 109.398 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -65.68 127.54 32.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.009 0.433 . . . . 15.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mp -83.33 142.83 30.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.508 -0.769 . . . . 15.0 110.909 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.438 ' O ' HG23 ' A' ' 42' ' ' VAL . 85.3 mt -85.29 163.92 18.33 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.003 -0.739 . . . . 15.0 109.003 178.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -60.18 -19.07 52.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.7 0.286 . . . . 15.0 111.228 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -61.73 -50.22 73.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.84 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -76.62 -27.98 55.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.592 -179.488 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.544 HG13 HD21 ' A' ' 12' ' ' LEU . 76.8 t -60.59 -40.43 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.035 -0.53 . . . . 15.0 110.374 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -68.79 -32.78 72.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.392 . . . . 15.0 110.57 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' OD1' ' HD2' ' A' ' 48' ' ' ARG . 4.5 t70 -67.86 -40.04 83.69 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.426 -0.583 . . . . 15.0 109.426 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -62.43 -34.09 76.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.167 -0.924 . . . . 15.0 110.472 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.03 -25.99 31.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.993 -0.549 . . . . 15.0 110.846 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -73.16 -54.79 7.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.09 -0.504 . . . . 15.0 109.818 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.404 ' HD2' ' OD1' ' A' ' 44' ' ' ASP . 33.6 mtt85 -82.99 162.94 21.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.823 -0.626 . . . . 15.0 109.7 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -91.98 103.23 15.77 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.657 -0.417 . . . . 15.0 110.744 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.0 mt -130.27 175.73 8.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.046 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.9 p -124.93 147.76 48.7 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.396 -0.366 . . . . 15.0 110.342 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.474 HD11 ' HA ' ' A' ' 12' ' ' LEU . 57.2 mt -81.11 125.92 39.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.738 0.304 . . . . 15.0 110.466 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.445 HG21 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -91.18 129.38 42.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.999 -0.546 . . . . 15.0 110.021 179.691 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -106.94 111.2 23.59 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.395 -0.366 . . . . 15.0 110.872 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.422 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 2.1 tmm_? -97.12 112.71 24.37 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.86 -0.793 . . . . 15.0 108.86 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 t70 63.9 19.86 11.94 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.629 0.728 . . . . 15.0 110.099 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.89 -8.39 70.53 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.498 -0.774 . . . . 15.0 112.508 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.49 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 1.2 t-20 -87.21 133.9 37.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.92 -0.4 . . . . 15.0 109.92 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.49 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 41.6 Cg_endo -67.99 116.84 4.52 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.678 2.252 . . . . 15.0 112.857 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' A' ' 55' ' ' ARG . 33.2 m-85 -121.9 163.92 18.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.63 -0.714 . . . . 15.0 109.823 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.52 -177.54 3.93 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.874 0.369 . . . . 15.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.8 t -114.49 122.04 67.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.036 -0.727 . . . . 15.0 109.036 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 27.6 p -75.86 -179.79 5.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.176 0.512 . . . . 15.0 111.454 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -70.61 -17.35 62.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.486 -0.779 . . . . 15.0 110.515 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -82.67 -52.79 6.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 15.0 110.108 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.7 m -73.32 -17.84 61.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.68 -0.691 . . . . 15.0 111.625 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 22.7 tp -50.81 -49.23 59.04 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.981 -0.554 . . . . 15.0 112.358 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.81 -12.08 59.79 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.012 0.375 . . . . 15.0 112.012 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -75.57 -44.98 40.43 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.76 0.281 . . . . 15.0 111.76 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 C--O 1.252 1.207 0 CA-C-O 119.166 -0.445 . . . . 15.0 110.872 -178.826 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ptt? . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.64 0.257 . . . . 15.0 110.375 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.423 ' HB3' ' HG2' ' B' ' 8' ' ' ARG . 0.2 OUTLIER -97.14 115.85 28.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.15 0.5 . . . . 15.0 111.355 -179.373 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -129.24 -175.21 3.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.217 -0.901 . . . . 15.0 109.26 179.28 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . 0.543 ' CG ' ' HA ' ' B' ' 5' ' ' PRO . 21.9 t70 -53.61 145.92 27.43 Favored Pre-proline 0 N--CA 1.47 0.534 0 O-C-N 123.158 0.287 . . . . 15.0 110.56 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.543 ' HA ' ' CG ' ' B' ' 4' ' ' ASP . 3.0 Cg_exo -80.78 3.96 40.83 Favored 'Cis proline' 0 C--N 1.35 0.609 0 C-N-CA 124.332 -1.111 . . . . 15.0 113.95 1.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' B' ' 3' ' ' GLN . 2.4 mp0 -67.82 125.5 26.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.634 -0.506 . . . . 15.0 109.634 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -96.39 -13.15 23.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.83 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.423 ' HG2' ' HB3' ' B' ' 2' ' ' PHE . 0.8 OUTLIER 58.71 68.99 1.52 Allowed Pre-proline 0 C--O 1.238 0.454 0 N-CA-C 109.556 -0.535 . . . . 15.0 109.556 -179.158 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' B' ' 11' ' ' LYS . 10.3 Cg_endo -52.43 143.2 45.38 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.699 2.266 . . . . 15.0 111.884 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.613 ' N ' ' HD3' ' B' ' 10' ' ' ARG . 0.0 OUTLIER -77.98 20.08 0.38 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.87 -0.604 . . . . 15.0 111.119 -178.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' B' ' 9' ' ' PRO . 64.1 mmtt -131.87 123.8 28.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.266 -0.642 . . . . 15.0 109.266 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.516 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 36.1 tp -51.54 -50.47 76.65 Favored Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 113.479 0.918 . . . . 15.0 113.479 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 10.0 Cg_endo -53.59 -35.09 75.88 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 122.301 2.0 . . . . 15.0 113.213 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -86.26 -27.96 24.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 15.0 110.838 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.65 -35.02 79.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.149 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 34.4 m -64.54 -29.68 70.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.925 -0.579 . . . . 15.0 110.592 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -38.47 78.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.533 -0.303 . . . . 15.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -68.98 -23.41 64.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.269 0.557 . . . . 15.0 109.71 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 15.2 mt -94.21 -1.59 53.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.391 -0.822 . . . . 15.0 110.082 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 57.25 44.03 22.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.534 -0.757 . . . . 15.0 111.67 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.8 t -147.81 -172.86 4.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.401 -0.363 . . . . 15.0 110.548 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.7 p -118.36 172.04 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.775 0.322 . . . . 15.0 111.297 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.436 ' HA ' HG22 ' B' ' 26' ' ' ILE . 4.0 mt -72.34 -3.5 4.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.26 0.552 . . . . 15.0 111.273 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -102.07 7.9 41.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.03 0.443 . . . . 15.0 109.937 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -130.31 -39.09 1.35 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.994 -0.548 . . . . 15.0 111.294 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.436 HG22 ' HA ' ' B' ' 23' ' ' ILE . 12.0 tt -65.98 133.66 30.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.092 -0.503 . . . . 15.0 111.331 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 36.6 mm -124.43 129.03 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.133 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.7 mp -114.25 158.41 21.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.431 -0.35 . . . . 15.0 110.451 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.473 ' HB2' ' CE2' ' B' ' 60' ' ' TYR . 85.6 mt-10 -105.05 158.21 16.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.37 -0.377 . . . . 15.0 110.035 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 37.0 t -73.52 136.75 44.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.901 -0.407 . . . . 15.0 109.901 178.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.42 HG13 ' CD2' ' B' ' 32' ' ' TYR . 4.8 p -66.56 -23.54 31.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.753 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.544 ' HB2' ' SG ' ' B' ' 66' ' ' CYS . 67.6 m-85 -109.14 -53.52 2.64 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.04 0.385 . . . . 15.0 112.04 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 5.4 m -74.55 -22.6 58.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.726 0.298 . . . . 15.0 111.164 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 51.6 mttp 62.19 26.79 16.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.653 -0.703 . . . . 15.0 111.136 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -99.63 149.93 22.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.529 -0.76 . . . . 15.0 109.718 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -74.75 124.95 27.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.841 0.353 . . . . 15.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.74 130.76 36.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.035 -0.53 . . . . 15.0 110.409 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.85 157.05 38.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.974 -0.557 . . . . 15.0 109.502 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -55.8 -29.86 60.41 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.77 0.319 . . . . 15.0 110.588 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -58.44 -47.01 85.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 15.0 110.685 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.3 -33.51 61.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.787 -0.642 . . . . 15.0 110.799 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.5 -37.99 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 15.0 111.044 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -65.35 -40.76 94.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.574 -0.284 . . . . 15.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.09 -36.71 80.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.429 0.633 . . . . 15.0 109.394 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.418 ' HA ' HD12 ' B' ' 50' ' ' LEU . 82.9 t80 -60.42 -41.84 94.8 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.292 -0.867 . . . . 15.0 110.657 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.06 -25.54 40.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 15.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -44.19 69.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.541 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -81.07 162.22 23.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.106 -0.331 . . . . 15.0 110.106 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -84.07 78.24 9.79 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.247 -0.649 . . . . 15.0 109.247 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 45' ' ' PHE . 71.1 mt -110.28 -167.81 1.24 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.535 -0.757 . . . . 15.0 110.373 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 27.4 p -147.34 152.6 38.48 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.762 -0.458 . . . . 15.0 109.762 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 5.0 mp -80.21 122.97 36.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.587 -0.523 . . . . 15.0 109.587 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.6 t -90.41 127.82 42.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.578 -0.527 . . . . 15.0 109.578 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -94.09 111.07 22.75 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.043 0.449 . . . . 15.0 111.674 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -95.76 114.01 25.7 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.604 -0.887 . . . . 15.0 108.604 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 68.78 -78.06 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.92 0.762 . . . . 15.0 109.882 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.76 25.11 0.36 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.124 -0.56 . . . . 15.0 112.07 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -134.45 146.1 57.91 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.576 0.227 . . . . 15.0 110.783 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.76 117.58 4.87 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.941 2.427 . . . . 15.0 112.204 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . 0.473 ' CE2' ' HB2' ' B' ' 29' ' ' GLU . 4.8 m-85 -119.42 162.84 18.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.062 -0.517 . . . . 15.0 109.953 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.57 179.51 4.2 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.881 0.372 . . . . 15.0 110.903 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.5 120.4 64.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.815 -0.63 . . . . 15.0 109.482 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . 0.6 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 30.7 p -72.93 175.65 6.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.982 0.42 . . . . 15.0 111.097 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.36 -23.54 67.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.818 -0.628 . . . . 15.0 110.804 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.43 ' HB2' ' SG ' ' B' ' 63' ' ' CYS . 18.9 mtpt -76.52 -58.07 3.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.951 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 29.4 m -70.3 -23.79 62.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.035 -0.53 . . . . 15.0 112.132 -178.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.6 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 9.7 tp -56.21 -46.85 79.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.739 0.304 . . . . 15.0 111.546 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -80.3 -24.83 39.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.84 0.352 . . . . 15.0 111.12 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -76.01 -46.46 29.34 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.5 0.556 . . . . 15.0 112.5 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.966 -0.54 . . . . 15.0 111.471 -178.436 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.428 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 28.6 ttm . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 110.184 -0.302 . . . . 15.0 110.184 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -124.78 104.58 8.71 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.638 -0.505 . . . . 15.0 109.638 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.9 -164.44 1.37 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.383 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.442 ' HB2' ' HA ' ' A' ' 5' ' ' PRO . 4.5 p-10 -55.28 157.14 6.84 Favored Pre-proline 0 C--O 1.236 0.348 0 O-C-N 123.237 0.336 . . . . 15.0 111.111 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HA ' ' HB2' ' A' ' 4' ' ' ASP . 83.4 Cg_endo -82.55 12.48 34.45 Favored 'Cis proline' 0 C--N 1.348 0.525 0 C-N-CA 123.856 -1.31 . . . . 15.0 113.325 0.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -64.96 151.94 44.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.18 -0.464 . . . . 15.0 110.365 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 43.4 tt0 -83.87 -33.0 24.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.013 -0.54 . . . . 15.0 110.905 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 7' ' ' GLU . 26.4 mtm180 68.84 72.89 0.33 Allowed Pre-proline 0 N--CA 1.465 0.312 0 O-C-N 123.771 0.669 . . . . 15.0 110.302 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.54 163.9 35.0 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.424 2.083 . . . . 15.0 112.201 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 2.2 mpt_? -96.59 -3.4 43.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.268 -0.424 . . . . 15.0 111.504 -178.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' OE1' ' A' ' 14' ' ' GLN . 51.8 mttm -107.78 133.74 51.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.563 -0.29 . . . . 15.0 110.252 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.4 tp -52.9 -51.57 73.13 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 113.257 0.836 . . . . 15.0 113.257 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.1 Cg_endo -55.88 -40.22 86.45 Favored 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 121.857 1.705 . . . . 15.0 112.551 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.473 ' OE1' ' HB2' ' A' ' 11' ' ' LYS . 93.6 mt-30 -69.19 -33.65 73.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.926 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.551 HD22 HD13 ' A' ' 52' ' ' ILE . 61.2 tp -64.89 -35.1 80.05 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.518 -0.549 . . . . 15.0 109.518 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -64.35 -40.21 95.41 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.743 -0.662 . . . . 15.0 109.995 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -44.3 96.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.585 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.08 -35.61 80.83 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.23 0.538 . . . . 15.0 110.336 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mt -82.18 -3.22 54.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.776 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 59.65 43.92 15.05 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.667 -0.697 . . . . 15.0 110.771 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.413 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 7.8 t -150.79 -174.18 4.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.001 -0.545 . . . . 15.0 110.568 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.4 p -111.54 175.56 5.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.993 0.425 . . . . 15.0 111.334 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.455 ' HA ' HG22 ' A' ' 26' ' ' ILE . 19.6 mt -69.68 -13.16 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -89.17 -6.86 56.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.007 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.413 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 29.3 t70 -120.96 -27.06 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.689 0.255 . . . . 15.0 111.689 -178.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.455 HG22 ' HA ' ' A' ' 23' ' ' ILE . 18.5 tt -58.09 124.35 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 121.396 0.617 . . . . 15.0 111.628 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.1 mm -106.6 117.09 51.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.855 -0.612 . . . . 15.0 110.54 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.614 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.4 mp -124.24 148.13 47.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.223 -0.444 . . . . 15.0 109.818 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -109.64 158.44 18.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.36 -0.382 . . . . 15.0 110.358 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 44.4 t -67.27 140.06 57.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.186 0.517 . . . . 15.0 110.966 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.42 -22.42 22.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.533 -0.758 . . . . 15.0 111.05 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -104.22 -63.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.453 ' HB2' ' HG2' ' A' ' 35' ' ' GLN . 28.1 m -68.61 -20.6 64.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.732 0.301 . . . . 15.0 111.667 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 47.5 mmtm 67.0 9.07 6.61 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.896 -0.593 . . . . 15.0 111.652 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.453 ' HG2' ' HB2' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -87.62 151.63 22.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.505 -0.316 . . . . 15.0 110.32 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -69.42 134.79 49.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.165 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -81.21 141.41 34.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.45 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 42' ' ' VAL . 92.9 mt -81.0 167.65 19.57 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.998 -0.371 . . . . 15.0 109.998 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -61.84 -15.6 43.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.527 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 40' ' ' ARG . 9.5 mmm180 -75.6 -47.48 26.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.065 0.46 . . . . 15.0 110.333 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mp0 -71.4 -33.32 69.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.905 -0.589 . . . . 15.0 111.455 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 38' ' ' LEU . 51.1 t -62.4 -39.89 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 120.88 0.372 . . . . 15.0 110.771 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -66.67 -45.95 77.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.549 . . . . 15.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -61.31 -39.8 91.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.684 -0.689 . . . . 15.0 110.68 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -60.83 -36.46 79.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 15.0 111.09 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.56 -24.21 49.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 15.0 111.355 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -77.95 -24.61 48.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 15.0 110.527 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.474 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 46.6 mtt180 -87.17 174.13 8.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.422 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -104.24 21.93 15.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.221 0.534 . . . . 15.0 110.953 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.78 155.52 26.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.582 -0.736 . . . . 15.0 110.142 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.5 m -103.87 172.43 6.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.77 0.319 . . . . 15.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.551 HD13 HD22 ' A' ' 15' ' ' LEU . 16.6 mt -80.14 130.6 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.298 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -91.94 112.6 25.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.358 0.599 . . . . 15.0 110.435 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -93.57 107.48 19.33 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.185 0.517 . . . . 15.0 109.876 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -101.43 116.98 34.0 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.986 -0.746 . . . . 15.0 108.986 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.0 t70 72.06 -71.14 0.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 124.225 0.953 . . . . 15.0 110.498 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -171.25 29.27 0.11 Allowed Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 111.166 -0.774 . . . . 15.0 111.166 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.428 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 2.4 t-20 -133.31 134.28 23.83 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.152 -0.314 . . . . 15.0 110.152 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 6.7 Cg_exo -72.85 99.16 1.05 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.496 2.131 . . . . 15.0 111.222 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -97.74 159.66 14.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.311 -0.404 . . . . 15.0 110.144 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.614 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -117.12 168.01 10.66 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.926 -0.579 . . . . 15.0 110.339 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.0 t -116.32 114.31 45.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 108.954 -0.758 . . . . 15.0 108.954 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.34 164.96 25.45 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.26 -0.274 . . . . 15.0 110.26 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.491 ' O ' ' HE2' ' A' ' 68' ' ' LYS . 31.8 t70 -53.51 -31.59 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.31 -0.405 . . . . 15.0 111.76 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 1.8 mtpt -57.27 -59.06 5.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 15.0 111.169 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -30.39 64.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.005 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.474 HD13 ' CZ ' ' A' ' 48' ' ' ARG . 10.0 mt -59.39 -36.12 75.21 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.066 0.765 . . . . 15.0 113.066 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' HE2' ' O ' ' A' ' 64' ' ' ASP . 2.2 ptpt -79.56 -27.99 41.2 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.746 -0.381 . . . . 15.0 111.168 -178.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -77.84 -26.13 49.2 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.926 0.343 . . . . 15.0 111.926 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.941 -1.028 . . . . 15.0 112.208 -177.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ptm . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 120.841 0.353 . . . . 15.0 110.269 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.407 ' CE1' ' HG ' ' B' ' 19' ' ' LEU . 0.4 OUTLIER -151.5 100.71 2.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.052 0.453 . . . . 15.0 109.98 179.453 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.41 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -136.91 -172.94 3.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.872 -0.604 . . . . 15.0 110.391 -179.582 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . 0.42 ' CG ' ' HA ' ' B' ' 5' ' ' PRO . 20.9 t70 -46.01 141.46 4.43 Favored Pre-proline 0 N--CA 1.467 0.398 0 O-C-N 123.686 0.616 . . . . 15.0 111.343 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.42 ' HA ' ' CG ' ' B' ' 4' ' ' ASP . 74.4 Cg_endo -75.26 -4.96 21.93 Favored 'Cis proline' 0 C--N 1.348 0.541 0 C-N-CA 124.128 -1.197 . . . . 15.0 114.592 1.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' B' ' 3' ' ' GLN . 0.8 OUTLIER -66.5 112.04 3.89 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.889 -0.411 . . . . 15.0 109.889 179.425 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -76.83 -11.18 59.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 15.0 111.35 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.436 ' HB3' ' CE2' ' B' ' 54' ' ' TYR . 18.9 mtm180 68.65 81.69 0.2 Allowed Pre-proline 0 N--CA 1.465 0.315 0 CA-C-O 121.142 0.496 . . . . 15.0 110.835 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.464 ' CG ' ' HG3' ' B' ' 18' ' ' GLU . 12.6 Cg_exo -70.02 161.25 46.68 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.772 2.314 . . . . 15.0 111.926 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -99.22 5.64 46.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.783 0.325 . . . . 15.0 111.836 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -120.68 142.06 49.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.796 0.332 . . . . 15.0 110.695 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.471 HD23 ' HB2' ' B' ' 46' ' ' ALA . 39.8 tp -55.37 -53.63 59.89 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 113.251 0.834 . . . . 15.0 113.251 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.4 Cg_endo -55.16 -42.69 66.33 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.112 1.875 . . . . 15.0 112.435 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -67.98 -40.75 83.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 15.0 110.55 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.96 -38.68 86.75 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.966 -0.561 . . . . 15.0 110.572 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 64.6 m -62.4 -40.37 96.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 15.0 110.435 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m -64.24 -41.3 97.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.446 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' B' ' 9' ' ' PRO . 10.1 mm-40 -68.07 -34.7 76.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.445 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.407 ' HG ' ' CE1' ' B' ' 2' ' ' PHE . 2.9 mt -83.1 -1.82 53.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.033 -0.531 . . . . 15.0 110.98 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 62.28 35.92 14.99 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.023 -0.535 . . . . 15.0 111.49 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.4 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 13.3 t -141.22 -173.05 3.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.425 -0.352 . . . . 15.0 110.422 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.08 164.98 15.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.572 -0.286 . . . . 15.0 110.405 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.23 -20.25 19.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 121.005 0.431 . . . . 15.0 111.974 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -87.15 -5.85 58.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.241 -0.287 . . . . 15.0 111.77 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.4 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 29.7 t70 -121.37 -31.9 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.709 0.263 . . . . 15.0 111.709 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 tt -58.35 135.13 22.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.402 0.62 . . . . 15.0 111.798 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 mm -122.05 114.76 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.797 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -114.5 156.75 24.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.276 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -115.52 159.5 21.15 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.321 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . 0.48 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 53.5 t -68.73 138.16 54.66 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.581 -0.525 . . . . 15.0 109.581 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.99 -24.85 33.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.853 0.359 . . . . 15.0 111.32 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -101.46 -67.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.831 0.348 . . . . 15.0 111.456 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . 0.437 ' SG ' ' NZ ' ' B' ' 65' ' ' LYS . 1.4 m -67.73 -18.56 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.969 -0.559 . . . . 15.0 112.08 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 61.1 mttp 56.05 37.03 28.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.607 0.718 . . . . 15.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -97.69 139.06 34.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.113 -0.948 . . . . 15.0 109.565 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -70.44 111.29 5.89 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.87 -0.418 . . . . 15.0 109.87 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mp -73.27 130.17 39.63 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.318 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.03 149.53 50.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.655 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -48.63 -39.36 23.85 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.45 0.469 . . . . 15.0 112.079 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.522 ' HA ' ' CD2' ' B' ' 43' ' ' TYR . 47.4 ttp180 -61.48 -43.02 99.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.716 0.293 . . . . 15.0 111.363 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.9 -31.65 71.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.045 0.45 . . . . 15.0 110.415 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.59 -34.06 65.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.709 -0.678 . . . . 15.0 110.945 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' B' ' 40' ' ' ARG . 16.9 m-85 -63.89 -27.08 68.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.464 -0.335 . . . . 15.0 111.078 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -26.93 66.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.955 0.407 . . . . 15.0 110.473 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.58 -31.76 70.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.627 -0.715 . . . . 15.0 110.116 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.471 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -85.99 -33.05 21.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.768 -0.651 . . . . 15.0 110.193 178.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -48.75 79.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.334 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -97.65 156.43 16.54 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.419 -0.586 . . . . 15.0 109.419 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -85.21 98.09 10.29 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.302 -0.559 . . . . 15.0 110.081 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.2 mt -126.61 169.31 13.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.799 -0.637 . . . . 15.0 110.084 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 72.8 m -113.93 146.0 40.7 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.248 -0.433 . . . . 15.0 110.225 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 47.1 mt -83.36 134.71 26.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.967 0.413 . . . . 15.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.3 m -97.12 136.42 27.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.288 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' B' ' 8' ' ' ARG . 23.9 m-85 -111.04 116.39 31.08 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.944 0.402 . . . . 15.0 111.299 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.444 ' NH1' ' HB2' ' B' ' 56' ' ' ASP . 0.4 OUTLIER -86.64 104.53 16.14 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.019 -1.104 . . . . 15.0 108.019 178.618 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.444 ' HB2' ' NH1' ' B' ' 55' ' ' ARG . 19.8 t70 68.72 -77.46 0.05 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.964 0.79 . . . . 15.0 110.245 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.95 21.32 0.88 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.749 -0.54 . . . . 15.0 111.749 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -121.39 138.35 28.08 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.429 0.157 . . . . 15.0 110.589 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -71.53 118.89 5.89 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.564 2.176 . . . . 15.0 112.059 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -124.37 164.46 19.59 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.184 0.516 . . . . 15.0 110.56 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -117.1 -174.65 2.63 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.299 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 t -123.34 121.75 63.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.321 -0.622 . . . . 15.0 109.321 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 31.0 p -70.02 170.78 10.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 15.0 111.131 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.42 -28.64 65.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.427 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.437 ' NZ ' ' SG ' ' B' ' 33' ' ' CYS . 0.1 OUTLIER -78.17 -52.79 8.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.133 -0.485 . . . . 15.0 111.088 -179.233 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 60.6 m -68.16 -23.99 64.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 15.0 111.348 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 15.8 tp -55.14 -52.96 61.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.15 0.5 . . . . 15.0 111.103 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -80.54 -14.18 58.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.054 -0.521 . . . . 15.0 111.322 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.28 -46.18 20.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.15 -0.477 . . . . 15.0 111.075 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.842 -0.599 . . . . 15.0 110.92 -179.289 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 ptt? . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.828 -0.434 . . . . 15.0 109.828 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.496 ' HB2' ' HD3' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -152.28 102.83 2.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.125 0.488 . . . . 15.0 110.516 179.203 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -132.1 -164.9 1.51 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.406 -0.815 . . . . 15.0 109.878 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.588 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 25.9 t70 -57.17 146.57 60.83 Favored Pre-proline 0 N--CA 1.47 0.54 0 N-CA-C 109.861 -0.422 . . . . 15.0 109.861 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.588 ' HA ' ' OD1' ' A' ' 4' ' ' ASP . 73.4 Cg_endo -76.98 -8.13 30.06 Favored 'Cis proline' 0 C--N 1.353 0.814 0 C-N-CA 124.35 -1.104 . . . . 15.0 114.248 1.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 3' ' ' GLN . 1.7 mp0 -59.41 131.29 50.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.956 -0.387 . . . . 15.0 109.956 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -91.97 -14.6 29.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.295 -0.411 . . . . 15.0 111.202 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.419 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 1.2 mtm180 68.36 79.67 0.22 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.399 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -75.72 163.9 32.95 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.544 2.163 . . . . 15.0 112.076 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -96.06 -5.24 41.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.387 -0.369 . . . . 15.0 110.458 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -106.12 128.27 53.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.152 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.583 HD23 ' HB2' ' A' ' 46' ' ' ALA . 19.8 tp -54.59 -48.98 93.68 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 112.983 0.734 . . . . 15.0 112.983 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 8.9 Cg_endo -52.01 -39.67 69.26 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.16 1.907 . . . . 15.0 112.463 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -75.96 -30.97 58.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.712 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.744 HD22 HD13 ' A' ' 52' ' ' ILE . 46.1 tp -65.23 -35.67 81.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.307 0.575 . . . . 15.0 109.801 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -64.9 -33.15 75.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.651 -0.704 . . . . 15.0 109.916 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -38.9 72.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.505 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -66.51 -38.46 87.26 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.135 0.493 . . . . 15.0 110.115 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mt -80.87 -8.65 59.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.856 -0.611 . . . . 15.0 110.849 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 59.04 48.7 10.41 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.805 -0.634 . . . . 15.0 110.913 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -147.09 -179.87 7.13 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.348 -0.387 . . . . 15.0 110.335 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.8 p -100.83 163.79 12.14 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.106 0.479 . . . . 15.0 111.304 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.428 ' HA ' HG22 ' A' ' 26' ' ' ILE . 16.2 mt -68.5 -14.47 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 115.673 -0.694 . . . . 15.0 111.305 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.64 -4.47 55.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.353 -0.385 . . . . 15.0 110.726 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -115.43 -34.78 4.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.36 -0.382 . . . . 15.0 111.559 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.428 HG22 ' HA ' ' A' ' 23' ' ' ILE . 18.4 tt -61.66 123.71 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.356 0.598 . . . . 15.0 111.429 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -115.94 104.4 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.899 -0.591 . . . . 15.0 109.791 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.489 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.2 tp -95.66 154.7 17.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.161 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -111.77 151.73 28.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.32 -0.4 . . . . 15.0 110.483 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.515 ' HB3' ' H ' ' A' ' 35' ' ' GLN . 46.4 t -70.89 139.16 50.69 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.715 -0.476 . . . . 15.0 109.715 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.501 HG23 ' HB2' ' A' ' 55' ' ' ARG . 9.5 p -80.92 -19.91 11.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.836 -0.62 . . . . 15.0 111.196 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -92.91 -67.83 0.84 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.219 0.452 . . . . 15.0 112.219 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' SG ' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -84.73 -9.25 58.39 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.435 0.532 . . . . 15.0 112.435 -178.378 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 13.1 mptt 59.98 62.11 1.73 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.436 0.636 . . . . 15.0 110.441 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.515 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 18.6 mm-40 -125.12 136.34 53.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.536 -0.756 . . . . 15.0 109.821 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -73.03 121.24 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.838 0.351 . . . . 15.0 110.648 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -86.12 132.81 33.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.638 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 42' ' ' VAL . 31.0 tp -80.23 160.01 25.73 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.135 -0.691 . . . . 15.0 109.135 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' HA ' ' HB ' ' A' ' 42' ' ' VAL . 2.5 ptm180 -53.1 -24.31 9.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.529 0.204 . . . . 15.0 111.46 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -59.31 -45.13 92.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.042 0.448 . . . . 15.0 110.714 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.85 -29.52 29.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.796 -0.638 . . . . 15.0 110.111 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 38' ' ' LEU . 97.4 t -61.12 -37.38 77.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.192 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -65.33 -36.11 83.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.496 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -67.38 -34.11 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 15.0 110.56 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -64.66 -34.4 78.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.598 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.583 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -85.24 -27.17 26.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 15.0 111.494 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -21.16 62.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.302 -0.408 . . . . 15.0 111.062 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -114.47 156.19 25.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.621 -0.511 . . . . 15.0 109.621 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -81.22 83.97 6.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.349 0.595 . . . . 15.0 110.455 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.0 mt -117.38 177.1 4.86 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.559 -0.746 . . . . 15.0 110.28 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.9 m -132.03 146.73 52.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.179 -0.464 . . . . 15.0 110.33 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.744 HD13 HD22 ' A' ' 15' ' ' LEU . 65.8 mt -80.69 135.61 24.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.993 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.421 HG21 HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -100.72 136.53 31.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.78 -0.645 . . . . 15.0 109.954 179.64 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 8' ' ' ARG . 56.7 m-85 -113.97 110.64 20.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.952 0.405 . . . . 15.0 111.791 -178.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' HB2' HG23 ' A' ' 31' ' ' VAL . 3.3 tmm_? -91.11 111.92 23.61 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.549 -0.908 . . . . 15.0 108.549 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 12.0 t70 71.71 -69.58 0.18 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.864 0.728 . . . . 15.0 110.89 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.75 34.93 0.16 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.968 -0.634 . . . . 15.0 112.205 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.453 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 29.9 t30 -137.14 133.67 18.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.496 ' HD3' ' HB2' ' A' ' 2' ' ' PHE . 37.4 Cg_endo -67.6 119.72 6.74 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.823 2.349 . . . . 15.0 112.229 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' ' 58' ' ' ASN . 36.7 m-85 -126.47 157.53 38.41 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.041 0.448 . . . . 15.0 110.611 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.489 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -114.75 -171.16 1.88 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.785 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 6.2 t -127.84 119.66 52.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.978 -0.749 . . . . 15.0 108.978 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 2.8 p -73.16 172.72 10.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 15.0 111.118 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -58.23 -24.13 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.643 -0.708 . . . . 15.0 112.234 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -73.93 -58.69 3.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.68 -0.236 . . . . 15.0 110.947 -179.339 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.433 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -73.61 -17.86 61.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.821 0.343 . . . . 15.0 111.845 -179.607 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 11.1 tp -53.18 -39.31 63.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.029 -0.532 . . . . 15.0 112.221 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -13.68 58.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.618 0.247 . . . . 15.0 111.479 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -76.92 -51.76 10.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.019 0.438 . . . . 15.0 110.532 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.032 -0.985 . . . . 15.0 110.54 -179.451 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ptm . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.777 0.322 . . . . 15.0 110.579 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.491 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -140.4 113.7 8.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.169 -0.469 . . . . 15.0 109.768 179.372 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.91 -168.33 2.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.893 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . 0.549 ' OD1' ' HA ' ' B' ' 5' ' ' PRO . 37.2 t70 -42.07 139.54 1.71 Allowed Pre-proline 0 N--CA 1.471 0.605 0 C-N-CA 123.889 0.876 . . . . 15.0 112.27 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.549 ' HA ' ' OD1' ' B' ' 4' ' ' ASP . 80.8 Cg_endo -79.11 0.28 34.02 Favored 'Cis proline' 0 C--N 1.35 0.638 0 C-N-CA 123.618 -1.409 . . . . 15.0 113.983 0.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.88 110.21 6.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.963 0.411 . . . . 15.0 110.147 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -81.67 -15.84 53.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.508 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.491 ' HD3' ' O ' ' B' ' 2' ' ' PHE . 6.1 mtm180 68.44 89.77 0.09 OUTLIER Pre-proline 0 C--O 1.236 0.364 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.748 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.92 177.69 6.11 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.83 2.353 . . . . 15.0 112.493 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -102.49 -3.07 27.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.48 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' B' ' 14' ' ' GLN . 62.9 mmtt -102.84 136.29 42.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.953 -0.388 . . . . 15.0 109.953 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.65 ' HA ' HD11 ' B' ' 52' ' ' ILE . 12.7 tp -58.27 -53.68 63.59 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.605 0.594 . . . . 15.0 112.605 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.6 Cg_endo -56.66 -34.83 96.72 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.111 1.874 . . . . 15.0 112.204 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.41 ' HB2' ' HB2' ' B' ' 11' ' ' LYS . 2.0 tt0 -69.94 -35.34 74.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.759 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.412 HD22 HD13 ' B' ' 52' ' ' ILE . 22.6 tp -65.43 -34.57 78.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.039 0.447 . . . . 15.0 110.099 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 36.3 m -61.6 -33.08 73.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.704 -0.68 . . . . 15.0 110.279 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -44.16 72.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.036 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.02 -38.02 89.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 15.0 110.371 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.72 -6.67 54.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.954 -0.566 . . . . 15.0 111.145 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 57.95 44.58 19.51 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.108 -0.496 . . . . 15.0 112.202 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -150.03 -178.9 6.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.603 -0.271 . . . . 15.0 110.523 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -98.95 173.85 6.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.947 0.404 . . . . 15.0 110.607 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.432 ' H ' HG13 ' B' ' 23' ' ' ILE . 1.2 mt -78.4 2.73 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.467 0.651 . . . . 15.0 110.183 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -104.58 7.61 35.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.714 -0.676 . . . . 15.0 110.165 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -131.29 -32.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.969 -0.559 . . . . 15.0 111.887 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.5 tt -77.27 125.21 36.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.242 0.544 . . . . 15.0 111.527 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 49.8 mm -115.09 127.75 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 15.0 110.139 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.62 161.04 19.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.701 0.286 . . . . 15.0 110.686 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -111.47 156.89 20.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.561 -0.291 . . . . 15.0 110.69 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 48.6 t -69.45 139.18 53.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 15.0 110.23 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 6.8 p -73.26 -23.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.994 -0.548 . . . . 15.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -102.91 -60.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.743 0.306 . . . . 15.0 111.493 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 m -71.66 -21.49 61.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 15.0 111.463 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 93.6 mttt 64.17 17.78 10.88 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.08 -0.509 . . . . 15.0 111.083 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -90.91 158.73 16.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 15.0 110.357 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -77.43 132.5 38.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.863 0.363 . . . . 15.0 111.221 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -96.69 112.27 24.09 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.111 -0.495 . . . . 15.0 109.817 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.422 ' O ' HG23 ' B' ' 42' ' ' VAL . 71.5 mt -67.72 165.45 17.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.779 -0.452 . . . . 15.0 109.779 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -54.0 -21.71 8.81 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.772 0.32 . . . . 15.0 111.618 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -59.38 -49.61 77.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.994 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -82.34 -25.74 33.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.721 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 38' ' ' LEU . 89.7 t -62.15 -45.45 98.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.363 -0.381 . . . . 15.0 110.174 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -69.98 -31.08 68.6 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -65.19 -38.58 90.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.538 0.685 . . . . 15.0 109.321 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.76 -43.07 69.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.915 -1.038 . . . . 15.0 110.454 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.441 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -75.43 -23.51 56.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.91 -0.586 . . . . 15.0 112.398 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -36.88 85.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.011 0.434 . . . . 15.0 110.477 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 -92.84 -140.14 0.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.615 -0.721 . . . . 15.0 109.106 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -147.42 84.61 1.57 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.211 0.529 . . . . 15.0 110.168 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mp -120.6 151.34 39.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.647 -0.706 . . . . 15.0 109.67 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 27.2 p -92.85 156.94 16.65 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.283 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.65 HD11 ' HA ' ' B' ' 12' ' ' LEU . 74.6 mt -80.34 131.57 33.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.085 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 5.9 t -91.06 117.09 33.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.129 -0.693 . . . . 15.0 109.129 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -94.31 110.56 22.31 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.214 0.53 . . . . 15.0 111.461 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.437 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -97.14 115.79 28.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.752 -0.832 . . . . 15.0 108.752 178.769 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 3.7 t70 71.53 -71.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.882 0.739 . . . . 15.0 111.064 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.79 22.66 0.1 OUTLIER Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.899 -0.667 . . . . 15.0 112.011 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.431 ' HA ' ' HD3' ' B' ' 59' ' ' PRO . 1.6 t30 -132.47 144.06 51.41 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 110.096 -0.335 . . . . 15.0 110.096 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 12.1 Cg_exo -69.49 122.88 9.63 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.665 2.244 . . . . 15.0 112.78 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -121.83 154.13 37.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.209 -0.663 . . . . 15.0 109.209 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.47 179.63 3.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.132 0.492 . . . . 15.0 111.14 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 25.9 t -119.41 123.22 70.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.606 -0.725 . . . . 15.0 109.456 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 6.4 p -77.78 171.98 14.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.905 0.383 . . . . 15.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.25 -31.72 65.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.652 -0.704 . . . . 15.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -56.93 5.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.866 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 37.1 m -69.59 -17.86 63.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 15.0 112.333 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.0 -48.96 67.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.779 0.323 . . . . 15.0 111.636 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 pttt -81.71 -11.47 59.03 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.288 -0.415 . . . . 15.0 111.617 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -72.46 -51.87 18.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.512 -0.313 . . . . 15.0 111.475 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.425 -0.798 . . . . 15.0 110.88 -178.443 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ptm . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 110.012 -0.366 . . . . 15.0 110.012 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -126.01 97.51 5.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.219 -0.446 . . . . 15.0 109.972 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -131.64 -165.36 1.57 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.943 -0.571 . . . . 15.0 110.472 -179.822 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.15 144.68 5.77 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 123.253 0.621 . . . . 15.0 111.556 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -81.95 7.21 43.22 Favored 'Cis proline' 0 C--N 1.352 0.743 0 C-N-CA 124.077 -1.218 . . . . 15.0 113.429 0.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 3' ' ' GLN . 2.5 mp0 -67.55 133.91 50.31 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.73 -0.47 . . . . 15.0 109.73 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -82.32 -21.56 36.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.154 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 63.41 72.77 0.53 Allowed Pre-proline 0 C--O 1.236 0.361 0 N-CA-C 109.563 -0.532 . . . . 15.0 109.563 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.91 161.08 38.07 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.593 2.195 . . . . 15.0 112.71 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -93.35 -5.22 50.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.833 -0.621 . . . . 15.0 110.975 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -115.2 133.15 56.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.105 0.479 . . . . 15.0 110.591 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.516 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 4.4 tp -53.22 -51.2 77.48 Favored Pre-proline 0 CA--C 1.538 0.515 0 N-CA-C 113.739 1.015 . . . . 15.0 113.739 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 7.7 Cg_endo -51.69 -37.97 65.41 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 122.214 1.943 . . . . 15.0 112.856 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -73.68 -36.53 65.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.477 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.418 HD22 HD13 ' A' ' 52' ' ' ILE . 54.4 tp -63.22 -35.06 79.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.864 -0.607 . . . . 15.0 111.117 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.5 m -54.49 -37.12 64.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 15.0 111.099 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -42.81 73.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.427 -0.352 . . . . 15.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.72 -33.81 75.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.974 0.416 . . . . 15.0 110.753 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -85.24 -3.83 58.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.757 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 56.95 57.11 4.85 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.853 -0.612 . . . . 15.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 15.3 t -158.67 -175.12 5.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.137 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.16 169.6 9.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.593 -0.276 . . . . 15.0 110.766 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.487 ' HA ' HG22 ' A' ' 26' ' ' ILE . 21.0 mt -67.38 -7.65 6.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.487 0.661 . . . . 15.0 111.449 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -95.96 -9.38 31.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.202 -0.454 . . . . 15.0 110.65 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.401 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 22.5 t70 -123.52 -30.51 3.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 15.0 111.989 -178.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.487 HG22 ' HA ' ' A' ' 23' ' ' ILE . 19.6 tt -57.54 126.04 14.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.511 0.672 . . . . 15.0 111.834 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.8 mm -125.44 120.07 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.468 -0.787 . . . . 15.0 109.719 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mp -118.38 160.87 20.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.315 -0.402 . . . . 15.0 110.382 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -110.43 156.82 20.29 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.344 -0.389 . . . . 15.0 110.352 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 41.1 t -68.29 140.09 55.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.967 0.413 . . . . 15.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 p -66.13 -31.66 54.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.439 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -105.79 -49.95 3.29 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.22 0.452 . . . . 15.0 112.22 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 m -77.19 -23.77 51.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.612 0.227 . . . . 15.0 111.612 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER 61.05 24.12 14.25 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.129 0.49 . . . . 15.0 110.954 -179.54 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -88.61 156.37 19.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.868 -0.606 . . . . 15.0 109.788 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.41 HE21 ' HB3' ' A' ' 36' ' ' GLN . 3.3 mt-30 -77.13 119.89 21.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.977 0.417 . . . . 15.0 111.064 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -86.47 112.99 22.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.83 -0.623 . . . . 15.0 109.878 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.62 158.87 26.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.758 -0.46 . . . . 15.0 109.758 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 39' ' ' ARG . 2.5 ptm180 -54.08 -21.07 7.59 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.859 0.318 . . . . 15.0 111.859 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -59.92 -47.28 86.44 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 110.133 -0.321 . . . . 15.0 110.133 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -75.95 -30.77 58.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 15.0 109.71 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.9 t -59.39 -41.22 83.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.312 -0.858 . . . . 15.0 110.305 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -64.67 -42.25 95.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.16 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.21 -30.26 70.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.93 -0.577 . . . . 15.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -65.24 -34.79 79.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.874 -0.603 . . . . 15.0 110.156 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.0 -35.0 22.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 15.0 110.937 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -69.66 -37.23 76.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.832 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -93.91 175.59 6.66 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.662 -0.496 . . . . 15.0 109.662 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -100.61 82.24 2.42 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.265 0.555 . . . . 15.0 109.667 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.6 mt -118.62 156.83 28.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.061 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.39 148.43 40.67 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.11 -0.495 . . . . 15.0 109.988 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.436 HD11 ' HA ' ' A' ' 12' ' ' LEU . 55.4 mt -80.29 137.55 21.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.874 -0.603 . . . . 15.0 110.752 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.422 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -116.22 115.23 48.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.587 -0.733 . . . . 15.0 109.841 179.5 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -93.12 110.21 21.7 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.966 -0.383 . . . . 15.0 109.966 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -91.67 111.69 23.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.764 -0.653 . . . . 15.0 109.919 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 t0 65.18 27.23 12.31 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.882 0.739 . . . . 15.0 111.005 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.37 31.23 47.1 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.741 -0.742 . . . . 15.0 112.552 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.432 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 2.1 m-20 -124.86 143.88 45.13 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 109.863 -0.421 . . . . 15.0 109.863 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 16.9 Cg_exo -66.28 105.86 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.611 2.207 . . . . 15.0 112.446 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 38.1 m-85 -125.6 154.72 41.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.44 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.83 179.39 5.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.211 -0.449 . . . . 15.0 110.328 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -105.92 118.35 53.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.561 -0.533 . . . . 15.0 109.561 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 30.2 p -73.1 175.58 6.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.321 0.581 . . . . 15.0 111.568 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.67 -24.92 67.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.294 -0.866 . . . . 15.0 110.698 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -80.0 -57.42 3.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.882 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.5 m -68.49 -17.43 64.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 15.0 112.186 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.5 OUTLIER -50.87 -49.02 60.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.324 0.49 . . . . 15.0 112.324 -179.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.9 -12.06 57.68 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.829 0.307 . . . . 15.0 111.829 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -77.43 -52.43 9.13 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.6 0.593 . . . . 15.0 112.6 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 . . . . . 0 C--O 1.244 0.802 0 CA-C-O 118.546 -0.74 . . . . 15.0 111.544 -177.775 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.789 -0.448 . . . . 15.0 109.789 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.588 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -141.3 116.14 9.76 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.78 -0.452 . . . . 15.0 109.78 179.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -125.74 -168.12 1.8 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.252 -179.566 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . 0.467 ' HB2' ' HA ' ' B' ' 5' ' ' PRO . 9.1 p-10 -61.54 158.27 41.0 Favored Pre-proline 0 C--O 1.234 0.278 0 O-C-N 123.385 0.428 . . . . 15.0 110.411 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.467 ' HA ' ' HB2' ' B' ' 4' ' ' ASP . 37.7 Cg_endo -65.93 -10.32 6.22 Favored 'Cis proline' 0 N--CA 1.48 0.701 0 C-N-CA 124.388 -1.088 . . . . 15.0 114.141 1.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.445 ' HG2' ' CZ ' ' B' ' 2' ' ' PHE . 1.9 mp0 -67.05 147.13 53.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.786 0.327 . . . . 15.0 110.248 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -114.36 -12.27 12.41 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.571 -0.286 . . . . 15.0 110.754 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.588 ' HD3' ' O ' ' B' ' 2' ' ' PHE . 2.5 mtm180 64.86 78.86 0.26 Allowed Pre-proline 0 N--CA 1.465 0.286 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.607 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -63.39 159.6 39.25 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.158 1.905 . . . . 15.0 112.064 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -86.03 3.24 43.2 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.154 -0.475 . . . . 15.0 111.171 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -114.37 127.98 56.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.36 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 16.0 tp -51.65 -52.23 62.46 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 113.329 0.862 . . . . 15.0 113.329 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.8 Cg_endo -55.34 -37.6 94.47 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.186 1.924 . . . . 15.0 113.147 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -78.54 -32.06 47.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.998 0.427 . . . . 15.0 110.701 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -66.23 -35.49 80.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 15.0 109.936 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 61.2 m -62.17 -36.69 82.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.753 -0.658 . . . . 15.0 110.786 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.76 -40.28 84.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.462 -0.336 . . . . 15.0 110.725 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.42 -36.16 82.12 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.245 0.545 . . . . 15.0 109.865 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.67 -6.6 52.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.473 -0.785 . . . . 15.0 110.552 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 59.6 43.02 16.39 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.652 -0.704 . . . . 15.0 110.612 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -149.17 -172.2 4.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.519 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.0 p -112.91 172.5 6.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.821 0.343 . . . . 15.0 111.168 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 19.7 mt -68.96 -18.18 22.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.262 0.553 . . . . 15.0 110.682 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -80.13 -20.43 44.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.875 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -109.24 -19.88 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.019 0.378 . . . . 15.0 112.019 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 16.8 tt -63.74 135.36 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.267 0.556 . . . . 15.0 111.07 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 mm -124.22 128.51 73.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.619 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mp -133.04 160.1 38.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.265 -0.643 . . . . 15.0 109.265 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -116.17 157.71 24.4 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.646 -0.131 . . . . 15.0 110.646 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 46.7 t -67.34 136.95 55.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.126 0.488 . . . . 15.0 110.764 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.451 HG23 ' HG2' ' B' ' 55' ' ' ARG . 6.5 p -67.63 -24.13 30.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.375 -0.829 . . . . 15.0 111.606 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.4 ' CD2' HG13 ' B' ' 31' ' ' VAL . 63.4 m-85 -108.05 -49.86 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.032 0.382 . . . . 15.0 112.032 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 2.9 m -80.7 -21.73 40.99 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.818 0.303 . . . . 15.0 111.818 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 64.12 19.15 11.64 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.124 0.487 . . . . 15.0 111.109 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -88.35 145.9 25.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.057 -0.52 . . . . 15.0 109.846 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -70.01 121.61 17.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.988 0.423 . . . . 15.0 110.635 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -83.54 120.72 26.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.557 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.413 ' O ' HG23 ' B' ' 42' ' ' VAL . 39.2 mt -71.69 157.63 37.6 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.171 -0.677 . . . . 15.0 109.171 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 39' ' ' ARG . 0.6 OUTLIER -54.35 -24.22 18.55 Favored 'General case' 0 C--O 1.225 -0.235 0 O-C-N 123.016 0.198 . . . . 15.0 111.18 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -58.13 -43.48 87.27 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.943 0.401 . . . . 15.0 110.214 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.4 -34.09 31.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.75 -0.659 . . . . 15.0 109.809 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 38' ' ' LEU . 52.7 t -60.9 -37.6 77.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.673 -0.694 . . . . 15.0 110.254 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -64.97 -42.24 94.74 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.626 -0.509 . . . . 15.0 109.626 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -64.43 -39.03 93.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.696 -0.684 . . . . 15.0 109.889 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -64.31 -35.53 81.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.372 -0.831 . . . . 15.0 110.922 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.07 -26.17 29.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.266 -0.424 . . . . 15.0 111.226 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -69.99 -38.07 75.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.139 0.495 . . . . 15.0 110.059 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -87.14 -177.67 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.699 -0.682 . . . . 15.0 109.198 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -109.99 85.67 2.15 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -125.15 163.35 22.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.749 -0.659 . . . . 15.0 110.697 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 13.1 m -109.8 152.66 25.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.653 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 53.6 mt -84.63 122.76 38.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.086 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 17.0 t -90.66 113.68 26.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.112 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -92.97 109.06 20.5 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.955 0.407 . . . . 15.0 110.591 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.451 ' HG2' HG23 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -80.93 108.41 14.58 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 108.803 -0.814 . . . . 15.0 108.803 179.324 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 20.4 t70 69.79 -76.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 124.066 0.854 . . . . 15.0 110.539 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.1 32.48 0.37 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.082 -0.58 . . . . 15.0 112.273 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -133.6 137.1 28.09 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.234 -0.284 . . . . 15.0 110.234 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.63 114.81 2.22 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.824 2.35 . . . . 15.0 112.516 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -127.29 148.32 50.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.011 -0.54 . . . . 15.0 109.837 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.33 177.16 5.29 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.549 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 3.6 t -111.15 122.41 65.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.709 -0.478 . . . . 15.0 109.709 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.45 168.99 16.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.792 0.33 . . . . 15.0 110.585 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.37 -29.52 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.657 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -69.33 -57.72 4.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 15.0 110.607 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 58.8 m -66.6 -23.41 66.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.0 -0.545 . . . . 15.0 111.904 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' B' ' 67' ' ' LEU . 13.3 mt -58.48 -39.48 80.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.17 0.51 . . . . 15.0 111.577 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -82.65 -25.91 32.66 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.209 -0.45 . . . . 15.0 111.036 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -78.74 -42.68 27.52 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.806 0.669 . . . . 15.0 112.806 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.529 -0.748 . . . . 15.0 111.197 -178.64 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.471 ' HB2' ' OE1' ' A' ' 3' ' ' GLN . 19.8 ptm . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.957 0.408 . . . . 15.0 110.765 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -140.2 82.28 1.85 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.412 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.471 ' OE1' ' HB2' ' A' ' 1' ' ' MET . 0.1 OUTLIER -111.85 -158.65 0.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.028 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.54 157.22 48.39 Favored Pre-proline 0 CA--C 1.536 0.434 0 O-C-N 123.184 0.302 . . . . 15.0 110.792 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.18 -1.49 15.58 Favored 'Cis proline' 0 C--N 1.352 0.763 0 C-N-CA 123.957 -1.268 . . . . 15.0 113.735 1.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 3' ' ' GLN . 2.0 mp0 -63.24 126.96 29.14 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -81.54 -11.89 59.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.031 -0.531 . . . . 15.0 110.586 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.86 71.6 0.8 Allowed Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 15.0 109.75 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.07 154.6 73.99 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.229 1.952 . . . . 15.0 112.054 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -90.79 4.07 52.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.953 0.406 . . . . 15.0 110.507 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -115.22 127.6 55.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.64 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.55 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 13.1 tp -52.58 -49.08 87.99 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 115.163 -0.926 . . . . 15.0 113.395 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 7.8 Cg_endo -51.68 -34.4 53.44 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.471 2.114 . . . . 15.0 113.072 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -81.09 -36.23 30.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.491 -0.322 . . . . 15.0 110.71 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.608 HD22 HD13 ' A' ' 52' ' ' ILE . 59.0 tp -60.34 -35.34 75.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.574 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -59.05 -39.2 81.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.809 -0.632 . . . . 15.0 110.318 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.05 -36.21 74.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 15.0 110.78 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -66.38 -38.33 87.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.603 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 mt -87.77 0.34 55.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 15.0 110.821 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 56.07 51.74 11.49 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.734 -0.666 . . . . 15.0 111.827 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -153.26 -174.69 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.916 -0.401 . . . . 15.0 109.916 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.8 p -111.71 169.26 8.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.852 0.358 . . . . 15.0 111.596 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.8 mt -66.59 -16.38 20.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.835 -0.62 . . . . 15.0 110.708 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -92.87 2.99 56.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.796 -0.638 . . . . 15.0 111.346 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -133.21 -27.34 1.6 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.938 0.348 . . . . 15.0 111.938 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.4 tt -65.33 127.98 27.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.307 0.575 . . . . 15.0 111.009 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 mm -116.91 128.24 74.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.123 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mp -130.17 148.89 52.06 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.882 -0.599 . . . . 15.0 109.967 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -106.56 159.44 16.18 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.118 -0.327 . . . . 15.0 110.118 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 43.4 t -67.25 143.11 56.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.163 0.506 . . . . 15.0 110.673 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.54 -29.25 37.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.822 -0.626 . . . . 15.0 111.231 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -105.41 -45.57 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.089 0.403 . . . . 15.0 112.089 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.5 m -83.07 -23.85 32.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.682 0.277 . . . . 15.0 111.609 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 5.2 mptt 63.21 20.76 12.47 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.049 -0.523 . . . . 15.0 111.222 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -87.81 144.75 26.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.079 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -71.01 113.71 8.33 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.661 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.51 135.98 52.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.026 0.441 . . . . 15.0 110.188 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.0 mt -74.02 159.75 32.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.963 -0.562 . . . . 15.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -53.19 -36.88 61.44 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.194 0.308 . . . . 15.0 111.603 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -65.7 -38.69 89.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.483 -0.326 . . . . 15.0 110.614 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -66.1 -33.77 76.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.116 0.484 . . . . 15.0 109.732 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 38' ' ' LEU . 26.4 t -67.37 -37.56 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.104 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -67.42 -41.21 85.22 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.015 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.418 ' HB2' HH21 ' B' ' 40' ' ' ARG . 1.1 t70 -63.03 -33.68 75.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.522 -0.763 . . . . 15.0 110.221 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -61.92 -32.74 73.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.659 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.13 -25.5 27.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.786 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -50.17 16.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.136 -0.484 . . . . 15.0 109.935 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -80.76 143.75 32.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.135 -0.691 . . . . 15.0 109.135 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -77.53 95.31 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.094 0.474 . . . . 15.0 110.084 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.9 mt -127.15 -179.9 5.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.81 -0.632 . . . . 15.0 110.862 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.7 p -131.32 151.78 51.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.792 -0.64 . . . . 15.0 110.063 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.608 HD13 HD22 ' A' ' 15' ' ' LEU . 25.9 mt -85.37 128.09 39.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.438 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.6 m -102.14 114.57 41.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.242 0.544 . . . . 15.0 110.257 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -94.35 110.2 21.99 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.396 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -84.75 113.53 21.39 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.9 -0.778 . . . . 15.0 108.9 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.59 -81.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 124.013 0.821 . . . . 15.0 110.622 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.75 38.61 0.51 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.067 -0.813 . . . . 15.0 111.067 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.423 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 1.5 m-20 -137.16 145.17 49.0 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 110.177 -0.305 . . . . 15.0 110.177 -179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 5.9 Cg_exo -74.1 106.67 2.26 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.456 2.104 . . . . 15.0 112.371 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -113.49 154.35 27.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.376 -0.375 . . . . 15.0 110.041 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.61 178.85 4.52 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.915 0.388 . . . . 15.0 110.545 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -117.74 119.41 61.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.308 -0.627 . . . . 15.0 109.308 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 21.7 p -73.7 169.78 16.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.083 -0.34 . . . . 15.0 110.083 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.12 -16.7 54.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.326 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 30.5 mtpt -75.41 -58.8 3.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.277 0.56 . . . . 15.0 110.27 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -72.57 -21.82 61.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.358 -0.837 . . . . 15.0 111.693 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.4 mt -56.0 -32.07 63.63 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.56 0.578 . . . . 15.0 112.56 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 1.8 pttp -82.13 -26.38 33.57 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.503 -0.479 . . . . 15.0 110.558 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -78.49 -44.01 25.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 15.0 111.874 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 C--O 1.241 0.613 0 CA-C-O 118.252 -0.88 . . . . 15.0 111.31 -177.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 109.907 -0.405 . . . . 15.0 109.907 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.521 ' HB2' ' HD3' ' B' ' 59' ' ' PRO . 0.1 OUTLIER -154.33 137.89 15.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.134 -0.321 . . . . 15.0 110.134 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -127.23 -172.2 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.15 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . 0.505 ' HB2' ' HA ' ' B' ' 5' ' ' PRO . 0.7 OUTLIER -72.69 162.97 71.56 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 115.706 -0.679 . . . . 15.0 109.719 179.51 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.505 ' HA ' ' HB2' ' B' ' 4' ' ' ASP . 67.7 Cg_endo -93.19 30.71 13.18 Favored 'Cis proline' 0 C--N 1.348 0.54 0 C-N-CA 124.491 -1.045 . . . . 15.0 113.601 0.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -76.21 121.2 22.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.753 -0.462 . . . . 15.0 109.753 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -70.31 -14.51 62.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.317 -0.401 . . . . 15.0 111.632 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.417 ' HB3' ' CZ ' ' B' ' 54' ' ' TYR . 37.6 mtt85 68.95 101.97 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.375 0 O-C-N 123.657 0.598 . . . . 15.0 111.899 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -76.34 163.89 31.71 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 122.565 2.177 . . . . 15.0 111.952 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -98.24 -1.09 42.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -108.67 135.13 50.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.564 0.221 . . . . 15.0 110.794 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.477 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 54.4 tp -55.75 -52.3 73.26 Favored Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 112.559 0.578 . . . . 15.0 112.559 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.2 Cg_endo -56.18 -38.09 95.5 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 122.005 1.803 . . . . 15.0 112.288 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -66.39 -39.35 88.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 15.0 110.571 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.418 HD22 HD13 ' B' ' 52' ' ' ILE . 46.8 tp -66.57 -34.52 78.08 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.36 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.4 m -61.27 -38.15 85.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.478 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -30.92 67.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 15.0 110.767 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -65.48 -40.39 93.04 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.126 0.488 . . . . 15.0 110.091 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 13.8 mt -85.28 -4.19 59.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.676 -0.693 . . . . 15.0 110.511 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 60.03 52.41 5.2 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.496 -0.775 . . . . 15.0 111.093 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.1 t -150.39 -173.46 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.585 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 34.5 p -102.98 167.26 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 15.0 111.495 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.73 -25.74 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.769 -0.65 . . . . 15.0 110.882 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -89.3 8.56 29.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.261 -0.427 . . . . 15.0 111.091 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -128.1 -31.54 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.977 -0.289 . . . . 15.0 111.697 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 13.6 tt -58.88 117.58 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.285 0.564 . . . . 15.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -92.02 108.89 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.077 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.57 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.3 tp -109.61 153.37 24.3 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.447 ' HG3' ' CD1' ' B' ' 60' ' ' TYR . 5.8 pt-20 -116.62 149.88 38.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.245 -0.434 . . . . 15.0 110.794 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 40.5 m -66.44 136.37 55.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.772 0.32 . . . . 15.0 110.701 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.425 ' HA ' ' CD1' ' B' ' 60' ' ' TYR . 2.8 p -60.59 -43.37 94.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.718 -0.674 . . . . 15.0 112.688 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -102.78 -43.93 5.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.083 0.401 . . . . 15.0 112.083 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.12 -29.77 70.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.472 0.177 . . . . 15.0 111.27 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 tptp 59.07 44.68 15.74 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.425 0.631 . . . . 15.0 111.594 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -129.11 169.18 15.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.991 -0.744 . . . . 15.0 108.991 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -76.17 122.93 25.05 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.987 -0.285 . . . . 15.0 110.488 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.451 HD23 HG22 ' B' ' 42' ' ' VAL . 14.0 tp -61.29 134.32 56.84 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.713 -0.477 . . . . 15.0 109.713 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.548 ' HB2' ' OE1' ' B' ' 41' ' ' GLU . 89.2 mt -70.61 150.24 46.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.755 0.312 . . . . 15.0 110.755 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -52.09 -41.47 62.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.646 -0.706 . . . . 15.0 112.172 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.418 HH21 ' HB2' ' A' ' 44' ' ' ASP . 52.2 mtp180 -72.09 -33.04 67.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.458 -0.337 . . . . 15.0 111.048 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.548 ' OE1' ' HB2' ' B' ' 38' ' ' LEU . 2.7 mp0 -67.43 -33.15 74.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.995 0.426 . . . . 15.0 110.768 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 38' ' ' LEU . 33.5 t -60.97 -34.4 59.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.966 -0.561 . . . . 15.0 110.033 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -63.64 -39.67 94.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.724 -0.671 . . . . 15.0 111.238 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.98 -37.15 86.36 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.984 0.421 . . . . 15.0 110.201 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.481 ' HA ' HD13 ' B' ' 50' ' ' LEU . 6.6 t80 -64.3 -34.09 77.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.651 -0.704 . . . . 15.0 110.713 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.69 -12.97 46.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.181 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.01 -51.82 5.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 15.0 110.738 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -101.79 179.12 4.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.979 -0.555 . . . . 15.0 111.013 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -104.93 97.75 7.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.94 0.4 . . . . 15.0 110.144 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' B' ' 45' ' ' PHE . 6.5 mp -106.95 -29.36 9.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.997 -0.547 . . . . 15.0 111.145 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 49.4 t 73.93 142.27 0.07 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.923 0.764 . . . . 15.0 110.66 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.418 HD13 HD22 ' B' ' 15' ' ' LEU . 25.6 mt -80.34 123.95 37.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.902 0.382 . . . . 15.0 110.716 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 m -93.22 124.82 45.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.468 -0.568 . . . . 15.0 109.468 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 71.5 m-85 -105.71 109.66 21.7 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.145 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' B' ' 57' ' ' GLY . 5.0 mmm180 -100.11 119.12 37.83 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.833 -0.802 . . . . 15.0 108.833 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.9 t70 74.27 -34.97 0.29 Allowed 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.749 0.656 . . . . 15.0 110.815 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' B' ' 55' ' ' ARG . . . 147.57 -2.09 0.76 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.515 -0.634 . . . . 15.0 111.515 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -97.16 141.04 22.45 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 110.056 -0.35 . . . . 15.0 110.056 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.521 ' HD3' ' HB2' ' B' ' 2' ' ' PHE . 43.6 Cg_endo -70.57 114.2 3.76 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.478 2.119 . . . . 15.0 112.199 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . 0.447 ' CD1' ' HG3' ' B' ' 29' ' ' GLU . 58.0 m-85 -112.81 155.3 24.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 15.0 110.02 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.57 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -107.99 163.21 13.33 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.117 -0.492 . . . . 15.0 111.015 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 20.0 t -119.7 112.32 36.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.07 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 3.4 p -92.36 173.09 7.99 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.088 -0.505 . . . . 15.0 110.662 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -60.12 -26.25 66.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.485 0.66 . . . . 15.0 109.385 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 1.3 mtpt -66.34 -51.54 56.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.016 -0.993 . . . . 15.0 109.945 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 78.0 m -65.51 -37.02 85.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.74 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.3 -41.04 96.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 15.0 111.841 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 14.7 pttp -80.58 -22.56 40.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 15.0 110.787 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -76.97 -47.7 20.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.05 -0.523 . . . . 15.0 111.714 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.27 -0.871 . . . . 15.0 110.61 -179.032 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 27.9 ptm . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.798 0.332 . . . . 15.0 110.338 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.526 ' CZ ' ' HG2' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -145.24 110.59 5.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.037 -0.528 . . . . 15.0 109.878 179.424 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.426 ' HB3' ' H ' ' A' ' 4' ' ' ASP . 18.2 mt-30 -134.01 -160.7 1.07 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.99 -0.55 . . . . 15.0 110.144 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.46 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 26.6 t70 -49.11 144.48 7.82 Favored Pre-proline 0 N--CA 1.471 0.591 0 O-C-N 123.498 0.499 . . . . 15.0 111.167 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.46 ' HA ' ' OD1' ' A' ' 4' ' ' ASP . 86.3 Cg_endo -84.16 10.27 47.96 Favored 'Cis proline' 0 C--N 1.35 0.631 0 C-N-CA 124.119 -1.2 . . . . 15.0 114.031 0.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.526 ' HG2' ' CZ ' ' A' ' 2' ' ' PHE . 1.3 mp0 -78.19 117.11 19.15 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.725 -0.472 . . . . 15.0 109.725 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 25.4 tp10 -74.85 -33.81 62.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.324 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 2' ' ' PHE . 24.9 mtm180 77.43 86.53 0.08 OUTLIER Pre-proline 0 N--CA 1.466 0.331 0 O-C-N 124.267 0.98 . . . . 15.0 111.393 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -72.8 169.34 22.27 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.577 2.185 . . . . 15.0 111.38 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -94.17 6.27 49.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.964 0.411 . . . . 15.0 111.114 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -120.45 136.47 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.331 0.586 . . . . 15.0 110.757 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.556 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.7 tp -56.4 -50.54 87.08 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 114.848 -1.069 . . . . 15.0 113.857 -178.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.1 Cg_endo -48.38 -46.59 22.75 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.829 2.353 . . . . 15.0 113.897 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -77.66 -31.22 52.47 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.67 0.248 . . . . 15.0 111.67 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.35 -35.52 79.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 15.0 110.711 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 m -60.36 -40.03 89.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.108 -0.497 . . . . 15.0 110.712 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -39.62 94.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 15.0 111.12 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.43 -32.86 74.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.029 0.443 . . . . 15.0 110.096 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.505 ' HG ' ' CZ ' ' A' ' 2' ' ' PHE . 1.7 mt -83.17 -2.68 56.11 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.919 -0.582 . . . . 15.0 109.963 178.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 60.4 31.96 20.49 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.212 -0.904 . . . . 15.0 111.521 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 t -138.28 179.39 6.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.872 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 p -99.31 171.42 7.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.016 0.436 . . . . 15.0 111.383 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.459 ' HA ' HG22 ' A' ' 26' ' ' ILE . 32.6 mt -68.22 -14.98 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.575 0.703 . . . . 15.0 110.399 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -86.51 -15.79 38.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.653 -0.703 . . . . 15.0 111.392 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -111.97 -23.59 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.86 0.319 . . . . 15.0 111.86 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.459 HG22 ' HA ' ' A' ' 23' ' ' ILE . 20.6 tt -64.35 121.98 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.483 0.659 . . . . 15.0 111.445 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -115.57 123.97 71.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.832 -0.622 . . . . 15.0 110.072 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.23 152.06 38.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.408 -0.36 . . . . 15.0 110.521 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.75 153.4 23.52 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.105 -0.331 . . . . 15.0 110.105 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.629 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 49.7 t -68.14 145.11 54.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.151 0.501 . . . . 15.0 111.153 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.424 HG23 ' HB2' ' A' ' 55' ' ' ARG . 6.0 p -81.26 -27.5 10.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.823 -0.626 . . . . 15.0 111.3 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -88.63 -62.44 1.49 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.356 0.502 . . . . 15.0 112.356 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.445 ' SG ' ' NZ ' ' A' ' 65' ' ' LYS . 1.7 p -89.61 -9.07 51.09 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.111 0.411 . . . . 15.0 112.111 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 7.1 mptt 61.5 29.24 18.28 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.248 -0.433 . . . . 15.0 111.602 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -85.32 149.1 25.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.599 -0.273 . . . . 15.0 110.43 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -80.22 113.65 18.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.827 -0.435 . . . . 15.0 109.827 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -78.26 131.53 37.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.258 -0.428 . . . . 15.0 111.178 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.6 mt -75.89 154.7 35.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.965 -0.561 . . . . 15.0 109.598 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 39' ' ' ARG . 14.6 ptt180 -54.05 -30.67 48.8 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.279 0.362 . . . . 15.0 111.434 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -56.88 -48.26 78.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.868 -0.605 . . . . 15.0 111.183 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -73.77 -31.16 63.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.022 -0.535 . . . . 15.0 110.422 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.75 -36.6 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.035 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -66.65 -34.29 77.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.819 0.342 . . . . 15.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -25.1 61.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.036 0.446 . . . . 15.0 110.421 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -62.88 -34.87 78.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.661 -0.699 . . . . 15.0 110.129 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.74 -26.97 27.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.728 -0.669 . . . . 15.0 110.611 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -40.6 83.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.698 -0.683 . . . . 15.0 110.732 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -93.94 178.09 5.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 15.0 109.997 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -95.4 93.29 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.129 0.49 . . . . 15.0 109.992 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.9 mt -135.86 159.31 42.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.688 -0.687 . . . . 15.0 110.682 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.0 m -122.75 154.36 38.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.036 -0.529 . . . . 15.0 109.72 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.41 HD11 ' HA ' ' A' ' 12' ' ' LEU . 44.0 mt -80.79 126.3 39.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.11 0.481 . . . . 15.0 110.846 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.73 124.66 43.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.501 -0.772 . . . . 15.0 109.843 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.515 ' CE2' ' HB3' ' A' ' 8' ' ' ARG . 33.8 m-85 -103.79 110.07 22.03 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.876 0.37 . . . . 15.0 111.485 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.436 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 4.2 tmm_? -92.85 116.36 28.96 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.731 -0.84 . . . . 15.0 108.731 178.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 23.8 t70 73.67 -60.2 0.54 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.992 0.807 . . . . 15.0 110.675 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.39 28.81 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.367 -0.693 . . . . 15.0 111.367 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.418 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 29.8 m-80 -128.16 149.59 71.57 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 109.688 -0.486 . . . . 15.0 109.688 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.63 118.12 5.34 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.539 2.159 . . . . 15.0 112.973 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 55' ' ' ARG . 70.0 m-85 -122.43 158.51 29.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.904 -0.589 . . . . 15.0 109.772 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -122.26 -173.12 2.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.549 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.2 t -129.65 119.17 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.07 -0.514 . . . . 15.0 109.637 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 7.1 p -78.55 171.39 15.18 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.376 -0.231 . . . . 15.0 110.376 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -53.71 -37.17 63.02 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.002 0.371 . . . . 15.0 112.002 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.445 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -65.06 -57.11 9.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.894 0.378 . . . . 15.0 111.275 -179.138 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.0 m -70.84 -20.96 62.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.102 -0.499 . . . . 15.0 111.323 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.5 OUTLIER -56.27 -51.36 68.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.034 179.613 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.469 ' H ' ' HG2' ' A' ' 68' ' ' LYS . 1.7 pttt -80.06 -14.58 58.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.576 -0.284 . . . . 15.0 110.824 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -77.1 -52.6 9.01 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.407 -0.361 . . . . 15.0 110.81 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.785 -0.626 . . . . 15.0 111.282 -179.557 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.804 -0.443 . . . . 15.0 109.804 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.504 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -138.03 111.15 7.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.976 0.417 . . . . 15.0 110.091 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.522 ' HA ' ' NH1' ' B' ' 8' ' ' ARG . 0.7 OUTLIER -131.32 -168.35 1.99 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.824 -0.625 . . . . 15.0 109.524 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -55.68 153.56 15.39 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 110.208 -0.293 . . . . 15.0 110.208 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -87.44 20.77 27.22 Favored 'Cis proline' 0 N--CA 1.461 -0.385 0 C-N-CA 123.686 -1.381 . . . . 15.0 113.289 0.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -69.79 143.57 52.91 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.757 -0.46 . . . . 15.0 109.757 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' B' ' 8' ' ' ARG . 36.8 tt0 -78.97 -33.31 45.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.128 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.522 ' NH1' ' HA ' ' B' ' 3' ' ' GLN . 45.0 mtm180 68.92 82.36 0.19 Allowed Pre-proline 0 C--O 1.234 0.286 0 O-C-N 123.71 0.632 . . . . 15.0 110.601 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.44 174.45 12.81 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.827 2.351 . . . . 15.0 112.555 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -100.88 -12.3 19.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.352 -0.385 . . . . 15.0 111.742 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -105.57 137.66 43.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.718 0.294 . . . . 15.0 110.934 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 27.8 tp -56.18 -50.54 86.91 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 115.86 -0.609 . . . . 15.0 112.211 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.7 Cg_endo -53.2 -38.5 81.43 Favored 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.149 1.899 . . . . 15.0 112.237 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -71.08 -38.58 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 15.0 110.218 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.448 HD22 HD13 ' B' ' 52' ' ' ILE . 33.4 tp -61.83 -36.21 80.51 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.115 -0.493 . . . . 15.0 109.813 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 54.7 m -62.25 -39.95 94.55 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.588 -0.733 . . . . 15.0 110.025 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -65.26 -41.75 93.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.06 -0.518 . . . . 15.0 110.635 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.75 -36.02 82.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 15.0 110.38 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.41 -2.79 54.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.526 . . . . 15.0 110.833 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 62.36 42.2 9.34 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.951 -0.568 . . . . 15.0 111.725 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -147.98 -174.4 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.825 -0.435 . . . . 15.0 109.825 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.43 173.47 6.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.952 0.406 . . . . 15.0 111.444 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.443 ' HA ' HG22 ' B' ' 26' ' ' ILE . 13.0 mt -67.91 -7.35 6.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.842 -0.617 . . . . 15.0 111.266 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -95.46 -0.17 52.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.143 -0.48 . . . . 15.0 111.077 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -132.58 -33.5 1.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.158 0.429 . . . . 15.0 112.158 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.443 HG22 ' HA ' ' B' ' 23' ' ' ILE . 18.4 tt -58.48 118.78 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.623 0.725 . . . . 15.0 111.624 -179.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 41.8 mm -104.77 111.03 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.531 -0.759 . . . . 15.0 109.933 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.465 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.1 tp -109.49 147.25 33.23 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.64 -0.504 . . . . 15.0 109.64 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -102.92 158.55 16.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.653 0.263 . . . . 15.0 110.582 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 36.9 t -77.48 142.8 38.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.256 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 p -75.83 -25.31 17.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.041 -0.527 . . . . 15.0 111.272 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -98.49 -64.13 1.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.684 0.253 . . . . 15.0 111.684 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . 0.451 ' HB2' ' HG2' ' B' ' 35' ' ' GLN . 0.7 OUTLIER -70.24 -22.07 62.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.313 -0.403 . . . . 15.0 111.853 -178.663 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 44.6 mmtm 65.63 24.26 11.65 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.093 0.473 . . . . 15.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.451 ' HG2' ' HB2' ' B' ' 33' ' ' CYS . 0.0 OUTLIER -94.32 149.8 20.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.236 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -80.81 113.25 18.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.654 -0.869 . . . . 15.0 108.654 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp -55.77 131.67 47.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.737 -0.665 . . . . 15.0 112.106 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.407 ' O ' HG23 ' B' ' 42' ' ' VAL . 34.8 mt -73.92 170.22 15.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.352 -0.84 . . . . 15.0 109.859 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -52.46 -45.18 65.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.656 -0.247 . . . . 15.0 111.418 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -62.69 -41.04 98.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.563 -0.29 . . . . 15.0 111.235 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -64.99 -40.89 95.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.797 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 38' ' ' LEU . 54.1 t -67.08 -40.36 85.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 121.243 0.544 . . . . 15.0 109.846 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -63.9 -35.72 81.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.517 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.18 -39.97 90.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.041 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.27 -40.63 86.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.832 -0.622 . . . . 15.0 111.129 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.439 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -81.7 -20.73 38.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.916 0.389 . . . . 15.0 111.573 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -77.19 -26.06 52.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.763 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -107.64 173.73 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.501 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -93.53 88.1 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.799 0.809 . . . . 15.0 109.692 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.614 HD21 HD21 ' B' ' 67' ' ' LEU . 1.2 mp -129.17 162.47 27.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.767 -0.652 . . . . 15.0 111.05 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.02 155.28 31.69 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.586 -0.734 . . . . 15.0 109.282 179.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.448 HD13 HD22 ' B' ' 15' ' ' LEU . 15.9 mt -79.88 129.34 37.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.98 0.419 . . . . 15.0 110.87 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.2 m -95.31 113.88 30.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.945 -0.57 . . . . 15.0 110.042 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -94.47 109.98 21.81 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.899 -0.591 . . . . 15.0 111.037 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -93.23 104.93 17.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.418 -0.956 . . . . 15.0 108.418 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 9.3 t0 70.24 -71.96 0.12 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.0 0.813 . . . . 15.0 110.562 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.98 17.18 0.38 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.059 -0.816 . . . . 15.0 111.059 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.457 ' HB3' ' CE2' ' B' ' 60' ' ' TYR . 2.3 t-20 -117.27 121.84 31.81 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.544 -0.328 . . . . 15.0 110.803 -179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -74.25 101.59 1.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.577 2.184 . . . . 15.0 111.308 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' B' ' 58' ' ' ASN . 47.7 m-85 -101.18 165.2 11.42 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.777 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.465 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -121.59 174.93 6.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.993 -0.549 . . . . 15.0 110.717 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 20.0 t -118.58 115.92 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.949 -0.569 . . . . 15.0 109.945 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 1.2 p -79.67 173.44 12.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.37 -0.377 . . . . 15.0 111.469 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.24 -36.85 73.81 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.962 -0.563 . . . . 15.0 111.28 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 0.1 OUTLIER -60.28 -49.92 75.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.883 -0.599 . . . . 15.0 110.963 -179.49 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 6.5 m -71.99 -31.09 65.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.983 0.421 . . . . 15.0 110.729 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.614 HD21 HD21 ' B' ' 50' ' ' LEU . 12.1 mt -65.16 -41.17 94.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 15.0 112.045 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 11.1 ptmt -67.46 -24.17 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.57 0.224 . . . . 15.0 110.931 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -76.82 -26.27 54.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.344 . . . . 15.0 111.024 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.505 -0.76 . . . . 15.0 111.061 -179.619 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptm . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.686 0.279 . . . . 15.0 110.359 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.62 102.75 4.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.137 0.494 . . . . 15.0 109.676 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.01 -151.54 0.46 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.797 -0.638 . . . . 15.0 110.142 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.86 149.66 52.92 Favored Pre-proline 0 C--O 1.233 0.228 0 C-N-CA 122.17 0.188 . . . . 15.0 110.954 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -85.43 4.14 64.43 Favored 'Cis proline' 0 C--N 1.346 0.412 0 C-N-CA 123.871 -1.304 . . . . 15.0 113.121 0.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.48 138.69 57.71 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -89.25 -16.98 29.94 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.796 -0.361 . . . . 15.0 110.737 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 65.84 85.42 0.16 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 15.0 110.507 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD3' ' OE1' ' A' ' 18' ' ' GLU . 12.2 Cg_exo -70.9 163.01 40.67 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.848 2.365 . . . . 15.0 111.784 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -94.33 -11.25 30.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.942 0.401 . . . . 15.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -109.34 131.13 55.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 15.0 109.919 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.576 ' HA ' HD11 ' A' ' 52' ' ' ILE . 30.7 tp -52.35 -48.22 90.27 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 113.8 1.037 . . . . 15.0 113.8 -178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.7 Cg_endo -49.66 -34.46 35.0 Favored 'Trans proline' 0 C--N 1.358 1.048 0 C-N-CA 122.84 2.36 . . . . 15.0 113.999 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -87.83 -30.31 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.104 -0.239 . . . . 15.0 111.347 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.514 HD22 HD13 ' A' ' 52' ' ' ILE . 9.8 tp -61.99 -37.77 86.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 15.0 110.543 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.51 ' SG ' HG12 ' A' ' 23' ' ' ILE . 23.8 m -62.31 -35.29 78.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.674 -0.694 . . . . 15.0 110.851 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -66.3 -40.59 90.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.461 . . . . 15.0 111.218 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' OE1' ' HD3' ' A' ' 9' ' ' PRO . 9.2 mt-10 -65.1 -34.73 79.11 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.001 0.429 . . . . 15.0 110.196 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.24 -0.2 51.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.888 -0.596 . . . . 15.0 110.933 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 59.87 37.84 21.52 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.045 -0.525 . . . . 15.0 111.527 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 t -135.63 -175.91 4.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.113 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 p -118.44 164.74 14.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.71 0.291 . . . . 15.0 111.203 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.51 HG12 ' SG ' ' A' ' 16' ' ' CYS . 8.0 mt -73.2 1.53 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 121.767 0.794 . . . . 15.0 110.119 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -102.43 1.06 34.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.487 -0.779 . . . . 15.0 110.819 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -136.62 -31.89 0.85 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.68 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.462 HG22 ' HA ' ' A' ' 23' ' ' ILE . 20.8 tt -64.49 122.08 14.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.514 0.673 . . . . 15.0 111.096 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.2 mm -111.34 106.68 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.971 -0.558 . . . . 15.0 110.192 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.9 156.13 16.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.119 -0.491 . . . . 15.0 109.951 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -107.61 158.32 17.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.147 -0.479 . . . . 15.0 110.085 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 46.1 t -69.35 143.07 53.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.126 -0.488 . . . . 15.0 110.222 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -73.76 -27.78 23.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.333 -0.394 . . . . 15.0 110.711 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -100.54 -57.54 2.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.173 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 m -69.72 -25.59 63.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.645 -0.252 . . . . 15.0 111.123 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 43.0 mttp 59.35 40.0 21.6 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.343 0.592 . . . . 15.0 110.711 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -119.44 152.94 36.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.542 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -70.49 123.67 22.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.887 0.375 . . . . 15.0 111.575 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.526 HD21 ' HA ' ' A' ' 63' ' ' CYS . 5.4 mp -83.89 133.38 34.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.836 -0.62 . . . . 15.0 110.791 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.529 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . 51.2 mt -72.93 157.6 37.11 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.105 -0.702 . . . . 15.0 109.105 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -57.37 -24.84 57.76 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.88 0.326 . . . . 15.0 111.88 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -60.1 -52.56 64.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.883 0.373 . . . . 15.0 110.621 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.529 ' OE1' ' HB2' ' A' ' 38' ' ' LEU . 1.2 pm0 -75.86 -23.84 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.395 -0.366 . . . . 15.0 110.873 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 38' ' ' LEU . 47.0 t -62.85 -43.63 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.459 -0.571 . . . . 15.0 109.459 178.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -71.14 -36.96 72.26 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.609 -0.515 . . . . 15.0 109.609 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -62.78 -36.95 84.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.315 -0.857 . . . . 15.0 109.831 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -67.75 -45.17 75.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.334 -0.848 . . . . 15.0 110.338 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.08 -13.18 60.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.728 -0.669 . . . . 15.0 111.829 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -72.45 -27.69 62.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.143 0.497 . . . . 15.0 110.282 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -104.52 162.2 13.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.009 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -81.79 62.27 5.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.465 0.65 . . . . 15.0 110.957 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.7 mt -92.06 174.41 7.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.468 -0.787 . . . . 15.0 109.874 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 60.5 m -132.96 157.91 43.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.851 0.358 . . . . 15.0 110.651 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.576 HD11 ' HA ' ' A' ' 12' ' ' LEU . 72.8 mt -80.71 134.73 26.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.877 -0.601 . . . . 15.0 110.825 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.8 t -99.32 127.15 52.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 108.883 -0.784 . . . . 15.0 108.883 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -100.3 109.16 21.36 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.184 0.516 . . . . 15.0 111.435 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.44 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 1.5 tmm_? -85.22 105.07 15.65 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.031 -0.729 . . . . 15.0 109.031 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.44 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 9.8 t70 72.47 -57.87 0.61 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.998 0.811 . . . . 15.0 111.432 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.13 34.74 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.536 -0.626 . . . . 15.0 111.536 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -142.64 137.36 15.21 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.687 -0.486 . . . . 15.0 109.687 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -68.02 123.06 10.21 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.764 2.309 . . . . 15.0 113.242 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -126.7 154.0 44.7 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.641 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.04 -177.08 3.16 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.128 0.489 . . . . 15.0 110.878 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.4 t -115.55 121.01 66.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.485 -0.78 . . . . 15.0 108.988 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.526 ' HA ' HD21 ' A' ' 37' ' ' LEU . 28.4 p -71.6 179.57 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.496 0.665 . . . . 15.0 111.907 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.44 -22.69 65.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.221 -0.9 . . . . 15.0 110.708 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -82.06 -56.68 3.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.513 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.423 ' HA ' ' CD1' ' A' ' 69' ' ' PHE . 58.4 m -66.83 -16.32 64.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.667 -0.697 . . . . 15.0 112.156 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 tp -50.33 -45.96 55.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.235 0.541 . . . . 15.0 112.125 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -81.62 -9.84 59.57 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.981 -0.554 . . . . 15.0 111.982 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 66' ' ' CYS . 20.3 m-85 -75.31 -51.9 12.12 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.167 0.432 . . . . 15.0 112.167 -178.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.157 -0.925 . . . . 15.0 111.418 -178.144 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.875 0.369 . . . . 15.0 110.903 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.95 153.35 29.44 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.955 -0.387 . . . . 15.0 109.955 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.41 -166.71 1.11 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.888 -0.412 . . . . 15.0 109.888 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . 0.412 ' HA ' ' HA ' ' B' ' 5' ' ' PRO . 0.2 OUTLIER -121.29 135.56 25.08 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.708 -0.224 . . . . 15.0 110.743 -179.268 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' B' ' 4' ' ' ASP . 8.9 Cg_endo -92.3 -61.26 0.03 OUTLIER 'Cis proline' 0 CA--C 1.534 0.512 0 C-N-CA 124.299 -1.126 . . . . 15.0 112.634 -1.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' B' ' 5' ' ' PRO . 14.8 mm100 72.83 7.69 5.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.921 0.888 . . . . 15.0 112.664 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' B' ' 6' ' ' GLN . 27.9 tt0 69.02 -56.37 0.54 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.157 0.583 . . . . 15.0 112.331 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 71.25 84.05 0.14 Allowed Pre-proline 0 C--O 1.234 0.253 0 C-N-CA 123.422 0.689 . . . . 15.0 110.275 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.36 158.17 54.97 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.661 2.241 . . . . 15.0 112.561 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 -99.57 8.89 44.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.289 -0.414 . . . . 15.0 111.178 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -115.09 133.31 56.15 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.894 -0.409 . . . . 15.0 109.894 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.596 HD23 ' HB2' ' B' ' 46' ' ' ALA . 33.1 tp -54.57 -52.33 70.79 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 113.375 0.88 . . . . 15.0 113.375 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 10.0 Cg_endo -52.7 -39.77 75.53 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.238 1.959 . . . . 15.0 112.912 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -76.0 -33.81 59.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.543 -0.299 . . . . 15.0 110.917 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 tp -65.78 -35.43 80.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.011 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.9 m -59.41 -38.36 80.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.068 0.461 . . . . 15.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -28.82 67.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.05 -0.523 . . . . 15.0 111.7 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -68.71 -29.72 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 15.0 110.987 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.64 12.05 35.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 15.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 53.94 51.47 14.69 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.174 -0.466 . . . . 15.0 111.545 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -148.81 -176.72 5.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.667 0.27 . . . . 15.0 110.774 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.65 172.03 7.63 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.3 mt -56.62 -43.35 78.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 15.0 111.784 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.17 51.82 2.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.773 0.32 . . . . 15.0 111.569 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -168.86 -39.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.527 . . . . 15.0 110.069 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.3 tt -72.01 129.52 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.06 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 mm -113.73 131.67 64.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.314 -0.403 . . . . 15.0 111.252 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -122.76 149.69 43.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.93 -0.577 . . . . 15.0 109.82 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.33 156.62 16.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.199 -0.297 . . . . 15.0 110.199 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . 0.584 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 6.6 t -70.18 145.03 51.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.381 -0.372 . . . . 15.0 110.375 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.51 -31.59 54.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.501 -0.318 . . . . 15.0 111.422 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.424 ' HD2' ' SG ' ' B' ' 66' ' ' CYS . 35.2 m-85 -102.97 -71.92 0.71 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.674 0.25 . . . . 15.0 111.674 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 23.3 m -63.17 -27.48 69.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.09 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.584 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 40.9 mttp 63.85 29.64 14.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.626 -0.715 . . . . 15.0 111.207 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.406 ' H ' ' HB3' ' B' ' 30' ' ' CYS . 2.3 pt20 -80.14 150.49 30.18 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.169 -0.678 . . . . 15.0 109.169 178.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -77.59 103.79 7.74 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.112 -0.329 . . . . 15.0 110.112 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -61.58 122.91 16.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 15.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 42' ' ' VAL . 51.6 mt -73.24 168.26 19.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.666 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -54.13 -28.92 42.91 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.264 -0.426 . . . . 15.0 111.966 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' B' ' 40' ' ' ARG . 6.6 ttp85 -68.62 -47.22 67.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.763 0.316 . . . . 15.0 110.47 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -65.57 -41.96 92.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 15.0 110.332 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 38' ' ' LEU . 40.0 t -62.97 -38.41 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 115.914 -0.585 . . . . 15.0 110.503 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -39.6 86.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.004 -0.544 . . . . 15.0 110.553 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -36.5 82.03 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.559 -0.534 . . . . 15.0 109.559 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -68.14 -46.0 72.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.467 -0.788 . . . . 15.0 110.433 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.596 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -71.85 -15.53 62.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.966 -0.561 . . . . 15.0 112.43 -178.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -67.52 -19.87 65.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.919 0.39 . . . . 15.0 111.455 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -133.8 175.63 9.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.144 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -92.53 86.09 5.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.31 0.576 . . . . 15.0 110.143 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 mt -112.83 147.68 36.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.706 -0.679 . . . . 15.0 110.38 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.21 141.14 28.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.836 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 64.7 mt -80.59 136.16 23.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.055 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.2 m -90.49 123.78 42.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.228 0.537 . . . . 15.0 110.195 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -99.2 111.98 24.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.141 -0.481 . . . . 15.0 110.673 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.487 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -97.81 109.99 22.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.053 -0.721 . . . . 15.0 109.053 179.237 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.487 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 21.3 t70 75.9 -39.78 0.38 Allowed 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.91 0.757 . . . . 15.0 111.54 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.18 -19.12 0.1 Allowed Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.517 -0.633 . . . . 15.0 111.517 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -85.81 141.39 35.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 110.297 -0.26 . . . . 15.0 110.297 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.81 110.49 3.09 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.428 2.085 . . . . 15.0 111.979 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -108.29 152.51 24.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.066 -0.516 . . . . 15.0 110.157 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.87 165.18 11.64 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.084 0.469 . . . . 15.0 111.276 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 t -102.78 112.09 34.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.52 -0.764 . . . . 15.0 109.135 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 17.9 p -75.9 176.0 8.27 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.164 0.507 . . . . 15.0 111.679 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -57.25 -34.57 68.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.279 -0.873 . . . . 15.0 110.928 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -68.75 -55.29 11.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.758 -0.656 . . . . 15.0 110.993 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . 0.424 ' SG ' ' HD2' ' B' ' 32' ' ' TYR . 36.2 m -70.27 -24.25 63.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.092 -0.504 . . . . 15.0 112.197 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.2 -47.65 82.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 15.0 111.781 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.525 ' HG2' ' H ' ' B' ' 68' ' ' LYS . 2.9 ptpt -80.38 -23.83 40.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.163 -0.471 . . . . 15.0 111.398 -178.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -78.64 -43.96 24.94 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.309 0.485 . . . . 15.0 112.309 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 119.001 -0.523 . . . . 15.0 110.995 -179.28 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.854 -0.424 . . . . 15.0 109.854 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -145.83 132.43 19.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.792 0.329 . . . . 15.0 110.318 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -80.4 164.63 22.94 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.389 0.614 . . . . 15.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.497 ' CB ' ' HA ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -99.18 170.35 6.98 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.49 -0.777 . . . . 15.0 109.157 179.188 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 4' ' ' ASP . 91.4 Cg_endo -83.76 -17.43 27.15 Favored 'Cis proline' 0 C--N 1.347 0.493 0 C-N-CA 123.945 -1.273 . . . . 15.0 113.642 0.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -157.77 69.87 0.56 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.877 0.37 . . . . 15.0 111.925 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -88.23 -15.03 36.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.384 0.611 . . . . 15.0 109.479 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.424 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -107.83 144.62 29.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.422 -0.808 . . . . 15.0 110.898 -179.141 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -77.41 -179.51 5.51 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.685 2.257 . . . . 15.0 111.704 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -108.55 7.33 26.7 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.056 0.391 . . . . 15.0 112.056 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -119.81 139.45 52.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.609 -0.269 . . . . 15.0 111.195 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.5 ' HA ' HD11 ' A' ' 52' ' ' ILE . 30.8 tp -57.68 -53.16 68.57 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 116.027 -0.533 . . . . 15.0 112.426 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.2 Cg_endo -55.42 -39.31 91.76 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.979 1.786 . . . . 15.0 112.065 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -71.08 -43.62 67.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 15.0 110.353 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.8 tp -58.1 -46.41 85.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.074 -0.512 . . . . 15.0 111.032 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.8 m -59.1 -45.91 89.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.033 0.444 . . . . 15.0 110.267 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.1 m -62.04 -42.33 99.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.736 -0.665 . . . . 15.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.65 -29.83 68.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.937 0.398 . . . . 15.0 110.823 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.85 -0.12 37.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.854 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 65.82 32.34 8.85 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.883 -0.599 . . . . 15.0 110.885 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.52 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 14.1 t -140.65 -170.03 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.386 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.5 p -120.05 178.19 4.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.809 0.338 . . . . 15.0 110.652 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -76.23 3.44 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.425 0.631 . . . . 15.0 111.203 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -109.76 2.18 19.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.266 -0.425 . . . . 15.0 110.209 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.52 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 33.9 t70 -132.92 -19.61 2.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 15.0 111.664 -178.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.0 tt -59.9 131.76 24.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 121.198 0.523 . . . . 15.0 111.282 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.8 mm -103.02 108.44 24.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.927 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.1 mp -127.42 146.52 50.45 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.992 -0.374 . . . . 15.0 109.992 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 36' ' ' GLN . 5.2 pt-20 -116.91 162.2 18.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.852 0.358 . . . . 15.0 111.213 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 61' ' ' ALA . 45.1 t -70.02 144.03 52.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.668 . . . . 15.0 111.043 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.439 ' HB ' ' HB3' ' A' ' 60' ' ' TYR . 7.5 p -78.51 -24.34 13.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.407 -0.815 . . . . 15.0 110.958 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -100.64 -44.0 5.98 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.001 0.371 . . . . 15.0 112.001 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.5 m -88.8 -19.56 25.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.288 0.477 . . . . 15.0 112.288 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.4 tptp 61.13 31.91 19.65 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.798 0.809 . . . . 15.0 109.929 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.68 135.58 53.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.184 -0.916 . . . . 15.0 109.898 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.483 ' HA ' ' HA ' ' A' ' 29' ' ' GLU . 24.4 mp0 -60.43 131.8 51.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.905 0.383 . . . . 15.0 111.088 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -80.4 148.4 30.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.957 -0.565 . . . . 15.0 110.429 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.635 ' HB2' ' OE2' ' A' ' 41' ' ' GLU . 78.2 mt -86.77 162.77 17.66 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.539 -0.541 . . . . 15.0 109.539 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 39' ' ' ARG . 13.7 ttm180 -57.93 -20.51 38.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.906 0.706 . . . . 15.0 112.906 -178.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.411 ' H ' ' HG3' ' A' ' 40' ' ' ARG . 1.9 mtm180 -73.02 -52.17 15.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.931 0.396 . . . . 15.0 110.846 -179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.635 ' OE2' ' HB2' ' A' ' 38' ' ' LEU . 1.7 pm0 -70.26 -26.37 63.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.154 -0.475 . . . . 15.0 110.787 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 38' ' ' LEU . 82.7 t -64.72 -36.65 78.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 108.727 -0.842 . . . . 15.0 108.727 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -64.76 -41.63 95.74 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 115.457 -0.792 . . . . 15.0 109.435 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -61.09 -38.0 84.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.382 -0.827 . . . . 15.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -62.41 -35.49 79.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.49 -23.35 24.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.28 -0.418 . . . . 15.0 111.406 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -76.15 -27.19 56.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.263 0.554 . . . . 15.0 110.556 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -107.16 165.33 11.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.187 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -84.48 93.22 8.27 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.489 -0.56 . . . . 15.0 109.489 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.7 mt -140.99 157.57 45.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.972 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.9 m -116.96 160.78 20.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.763 -0.653 . . . . 15.0 109.658 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' A' ' 12' ' ' LEU . 16.9 mt -81.21 135.89 24.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.667 0.27 . . . . 15.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -91.5 113.56 27.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.081 -0.711 . . . . 15.0 109.081 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.424 ' CE2' ' HG3' ' A' ' 8' ' ' ARG . 45.5 m-85 -99.61 110.1 22.56 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.243 -0.435 . . . . 15.0 111.509 -178.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.5 mmm-85 -107.93 118.56 37.06 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t70 73.49 -17.93 0.41 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.984 0.802 . . . . 15.0 111.844 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 132.41 -7.71 5.32 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.844 -0.693 . . . . 15.0 112.292 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.448 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 41.5 m-80 -94.12 145.32 29.57 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 110.334 -0.247 . . . . 15.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 5.2 Cg_exo -78.31 113.69 3.41 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.643 2.228 . . . . 15.0 112.285 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.439 ' HB3' ' HB ' ' A' ' 31' ' ' VAL . 78.3 m-85 -116.96 140.67 49.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.043 0.449 . . . . 15.0 110.304 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -108.77 179.98 4.03 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.917 -0.583 . . . . 15.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 4.4 t -121.72 117.75 53.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.053 -0.721 . . . . 15.0 109.053 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.59 173.35 9.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.961 0.41 . . . . 15.0 111.146 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -54.99 -37.03 66.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.61 -0.723 . . . . 15.0 111.773 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -59.35 5.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.862 -0.608 . . . . 15.0 112.033 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.461 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -71.81 -27.64 63.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.433 0.531 . . . . 15.0 112.433 -178.243 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.7 mt -57.36 -44.93 84.77 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.148 0.425 . . . . 15.0 112.148 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -81.58 -22.02 38.02 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.858 -0.337 . . . . 15.0 111.023 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -78.53 -30.34 46.95 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.122 0.415 . . . . 15.0 112.122 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 . . . . . 0 C--O 1.242 0.694 0 CA-C-O 118.568 -0.73 . . . . 15.0 110.912 -179.04 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 ttm . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 109.598 -0.519 . . . . 15.0 109.598 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.506 ' CD1' ' HG2' ' B' ' 8' ' ' ARG . 0.3 OUTLIER -140.68 166.79 23.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.629 0.252 . . . . 15.0 110.899 179.664 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.411 ' HG2' ' H ' ' B' ' 3' ' ' GLN . 10.6 pt20 -79.18 169.12 18.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.92 -0.582 . . . . 15.0 111.561 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . 0.666 ' CG ' ' HA ' ' B' ' 5' ' ' PRO . 1.6 t70 -111.79 152.76 44.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.803 -0.635 . . . . 15.0 109.351 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.666 ' HA ' ' CG ' ' B' ' 4' ' ' ASP . 19.2 Cg_endo -84.47 -103.08 0.0 OUTLIER 'Cis proline' 0 N--CA 1.455 -0.784 0 C-N-CA 123.608 -1.413 . . . . 15.0 113.461 0.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -97.79 50.96 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.017 -0.427 . . . . 15.0 111.833 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.406 ' HG3' ' HD2' ' B' ' 5' ' ' PRO . 27.7 mt-10 -87.07 47.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.177 -0.675 . . . . 15.0 109.177 178.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.506 ' HG2' ' CD1' ' B' ' 2' ' ' PHE . 32.4 mtt180 -128.29 116.33 20.07 Favored Pre-proline 0 N--CA 1.451 -0.376 0 CA-C-N 115.542 -0.753 . . . . 15.0 110.484 -178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.6 176.95 9.42 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.49 2.127 . . . . 15.0 112.294 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 60.5 mmt-85 -108.12 0.96 21.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.273 -0.421 . . . . 15.0 110.373 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -99.82 119.9 38.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.758 -0.655 . . . . 15.0 109.946 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 22.5 tp -55.76 -50.67 85.76 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 112.855 0.687 . . . . 15.0 112.855 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.3 Cg_endo -54.83 -34.54 85.64 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.222 1.948 . . . . 15.0 112.856 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -83.15 -29.67 28.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.321 . . . . 15.0 110.708 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.443 HD22 HD13 ' B' ' 52' ' ' ILE . 24.8 tp -63.38 -35.49 80.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.271 0.558 . . . . 15.0 110.024 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 35.2 m -63.55 -40.14 96.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.592 -0.731 . . . . 15.0 110.707 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -60.37 -39.61 87.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.316 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.73 -22.99 62.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.137 0.494 . . . . 15.0 111.058 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 65.0 mt -96.58 5.05 51.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.951 -0.568 . . . . 15.0 110.286 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 59.56 37.13 22.82 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.693 -0.685 . . . . 15.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.428 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 14.6 t -140.61 -171.7 3.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.165 -0.47 . . . . 15.0 110.789 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.9 p -126.49 177.77 6.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.46 -0.337 . . . . 15.0 110.633 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 10.3 mt -71.53 -7.13 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.648 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -96.11 -8.5 33.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 15.0 111.191 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.428 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 13.6 t70 -124.42 -36.97 2.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.018 0.377 . . . . 15.0 112.018 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -47.7 129.05 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 121.192 0.52 . . . . 15.0 111.668 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 31.8 mm -106.55 116.27 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.704 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.471 HD23 ' HB2' ' B' ' 61' ' ' ALA . 2.2 mp -123.33 144.56 49.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 15.0 109.399 178.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -110.7 164.88 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.499 -0.319 . . . . 15.0 110.16 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 52.8 t -67.79 140.16 56.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.327 . . . . 15.0 110.518 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.8 p -71.96 -20.42 20.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.469 -0.332 . . . . 15.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -104.3 -51.19 3.17 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.991 0.367 . . . . 15.0 111.991 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 57.3 m -82.98 -24.61 32.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.688 -0.233 . . . . 15.0 111.533 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 2.4 mptm? 65.34 21.71 11.97 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.225 -0.443 . . . . 15.0 111.711 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -98.12 154.53 17.67 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.627 -0.508 . . . . 15.0 109.627 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -64.39 127.92 33.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.894 0.378 . . . . 15.0 111.161 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.48 142.43 37.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.64 . . . . 15.0 110.963 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.476 ' O ' HG23 ' B' ' 42' ' ' VAL . 45.4 mt -72.95 142.29 47.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.921 -0.77 . . . . 15.0 108.921 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -54.1 -34.94 61.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 15.0 111.497 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -62.28 -41.29 98.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 15.0 110.97 179.288 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -72.95 -27.77 62.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.345 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 38' ' ' LEU . 60.2 t -63.04 -34.55 67.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 109.385 -0.598 . . . . 15.0 109.385 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . 0.497 ' O ' ' HB2' ' B' ' 47' ' ' PHE . 25.7 m-85 -68.97 -37.03 78.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.062 179.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -66.29 -39.35 89.32 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.333 0.587 . . . . 15.0 109.793 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -61.86 -42.37 98.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.38 -0.827 . . . . 15.0 110.642 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.29 -13.05 53.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 15.0 111.226 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . 0.497 ' HB2' ' O ' ' B' ' 43' ' ' TYR . 11.1 t80 -77.52 -44.93 27.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.485 . . . . 15.0 109.985 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.458 HH22 ' HB3' ' B' ' 67' ' ' LEU . 6.1 mtt180 -88.38 -160.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.659 -0.7 . . . . 15.0 109.881 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -117.27 89.38 3.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.219 0.533 . . . . 15.0 110.23 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -132.56 138.3 47.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.593 -0.73 . . . . 15.0 109.537 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 56.9 m -91.19 161.35 15.11 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.199 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.443 HD13 HD22 ' B' ' 15' ' ' LEU . 65.5 mt -79.36 129.04 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.904 0.383 . . . . 15.0 110.777 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.78 113.83 27.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.619 -0.719 . . . . 15.0 110.014 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -94.88 109.91 21.85 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.56 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.25 102.85 14.89 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.805 -0.813 . . . . 15.0 108.805 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 t0 68.27 -83.91 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.918 -1.037 . . . . 15.0 111.403 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -138.61 20.26 3.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.441 -0.885 . . . . 15.0 112.809 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -133.21 134.14 23.8 Favored Pre-proline 0 C--N 1.323 -0.572 0 O-C-N 122.535 -0.391 . . . . 15.0 110.988 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.86 122.61 9.26 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.697 2.265 . . . . 15.0 112.558 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -122.84 163.39 20.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.138 -0.483 . . . . 15.0 109.885 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.471 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -118.87 -172.35 2.27 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.163 0.506 . . . . 15.0 110.804 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 6.7 t -115.52 120.76 65.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.756 -0.656 . . . . 15.0 109.576 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 28.2 p -78.83 169.64 17.91 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.118 -0.233 . . . . 15.0 110.728 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -48.48 -37.04 16.34 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.608 0.596 . . . . 15.0 112.608 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.4 -59.69 4.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.618 -0.265 . . . . 15.0 111.45 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -28.11 61.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.459 -0.337 . . . . 15.0 111.762 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.458 ' HB3' HH22 ' B' ' 48' ' ' ARG . 8.4 mt -52.21 -47.3 65.72 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.675 0.62 . . . . 15.0 112.675 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.407 ' H ' ' HG2' ' B' ' 68' ' ' LYS . 24.9 pttt -81.27 -24.85 37.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.61 0.243 . . . . 15.0 111.646 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -78.03 -27.97 48.95 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.416 0.525 . . . . 15.0 112.416 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 117.935 -1.031 . . . . 15.0 111.483 -178.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.464 ' SD ' ' HG2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.912 -0.403 . . . . 15.0 109.912 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.487 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -137.77 117.0 12.64 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.457 -0.571 . . . . 15.0 109.457 179.404 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.464 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 5.8 mm100 -119.73 -162.15 0.91 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.946 -0.57 . . . . 15.0 111.518 -178.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.96 158.6 42.75 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 115.712 -0.676 . . . . 15.0 110.77 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -84.43 17.46 27.87 Favored 'Cis proline' 0 C--N 1.345 0.363 0 C-N-CA 123.64 -1.4 . . . . 15.0 113.014 0.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.415 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 11.1 mm-40 -83.54 121.39 27.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.92 0.39 . . . . 15.0 110.552 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -75.34 -3.77 35.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' A' ' 2' ' ' PHE . 33.0 mtm-85 64.2 88.27 0.12 Allowed Pre-proline 0 N--CA 1.463 0.189 0 CA-C-N 115.808 -0.633 . . . . 15.0 111.262 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.16 157.23 57.98 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 15.0 112.341 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 51' ' ' CYS . 25.4 mmt180 -91.08 -18.82 23.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.303 -0.408 . . . . 15.0 111.13 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -85.16 131.31 34.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.64 0.257 . . . . 15.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 59.4 tp -56.18 -50.59 86.62 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.972 -0.558 . . . . 15.0 111.961 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.2 Cg_endo -54.98 -35.16 89.21 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.125 1.883 . . . . 15.0 112.338 179.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -69.48 -44.81 70.4 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.396 -0.365 . . . . 15.0 110.604 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.61 HD22 HD13 ' A' ' 52' ' ' ILE . 34.1 tp -57.83 -34.39 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.955 -0.387 . . . . 15.0 109.955 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.8 m -64.26 -49.72 70.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.706 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 p -66.04 -40.45 90.98 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.872 0.367 . . . . 15.0 111.342 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.33 -32.62 71.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.273 -0.422 . . . . 15.0 111.047 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.561 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -84.62 -4.31 58.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.862 0.363 . . . . 15.0 110.25 179.341 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 63.46 46.3 4.39 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.466 -0.788 . . . . 15.0 110.823 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.436 HG22 ' HB3' ' A' ' 19' ' ' LEU . 12.9 t -152.03 -170.7 3.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.999 -0.546 . . . . 15.0 110.447 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -123.73 -179.86 4.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.708 0.289 . . . . 15.0 111.081 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.421 ' H ' HG13 ' A' ' 23' ' ' ILE . 3.4 mt -73.08 0.16 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 15.0 111.336 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -105.13 -5.64 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.757 0.313 . . . . 15.0 111.043 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.407 ' HB3' ' OG1' ' A' ' 21' ' ' THR . 31.8 t70 -133.77 -8.77 2.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.963 0.411 . . . . 15.0 111.515 -178.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.2 tt -63.19 121.36 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.61 0.719 . . . . 15.0 111.545 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.5 mm -84.64 94.66 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.687 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.547 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.2 tp -122.99 128.19 49.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.728 -0.669 . . . . 15.0 109.641 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -115.37 171.68 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.94 -0.573 . . . . 15.0 110.599 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 39.3 t -67.43 142.26 56.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.321 0.581 . . . . 15.0 111.055 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.43 -20.54 12.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.617 -0.72 . . . . 15.0 110.524 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -101.57 -70.7 0.74 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.674 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.6 m -73.17 -14.38 61.35 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.342 0.497 . . . . 15.0 112.342 -177.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 39.1 mmtm 64.84 22.36 12.5 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.579 0.549 . . . . 15.0 111.784 178.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 6.5 pt20 -88.04 142.95 27.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.626 -0.509 . . . . 15.0 109.626 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -72.54 126.06 28.95 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.184 -0.302 . . . . 15.0 110.184 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.37 145.69 54.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.013 -0.54 . . . . 15.0 111.467 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.7 tp -82.66 162.0 21.99 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.383 -0.599 . . . . 15.0 109.383 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 12.2 ttp85 -47.19 -41.68 18.49 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 122.805 0.442 . . . . 15.0 112.168 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -68.21 -46.51 70.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.618 -0.264 . . . . 15.0 111.659 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.535 ' OE1' ' HB3' ' A' ' 38' ' ' LEU . 9.1 mp0 -58.7 -36.98 75.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.101 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 38' ' ' LEU . 16.3 t -65.74 -38.05 81.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.018 0.437 . . . . 15.0 110.005 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.453 ' HE2' ' NH1' ' A' ' 39' ' ' ARG . 21.6 m-30 -71.4 -33.97 69.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 15.0 109.828 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.89 -30.33 71.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.471 0.653 . . . . 15.0 109.81 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.97 -38.04 72.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.946 -1.025 . . . . 15.0 110.5 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.91 -24.09 59.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.401 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.412 ' HZ ' ' HB3' ' B' ' 46' ' ' ALA . 0.2 OUTLIER -74.26 -20.31 60.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.786 -179.603 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.0 mtt85 -111.93 168.39 9.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.59 -0.277 . . . . 15.0 110.359 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.2 -4.07 58.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.952 0.406 . . . . 15.0 110.797 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.5 109.21 0.47 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.59 -0.732 . . . . 15.0 111.109 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 29.5 p -68.98 -171.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 15.0 111.767 -178.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.61 HD13 HD22 ' A' ' 15' ' ' LEU . 29.7 mt -87.9 140.03 16.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.633 -0.712 . . . . 15.0 109.684 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -103.07 113.55 40.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.412 0.625 . . . . 15.0 109.853 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -94.97 111.51 23.3 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.699 -0.682 . . . . 15.0 111.377 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.39 110.82 23.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.988 -0.745 . . . . 15.0 108.988 178.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t0 70.09 -73.16 0.1 Allowed 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.972 0.795 . . . . 15.0 110.496 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.39 22.31 0.22 Allowed Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.212 -0.755 . . . . 15.0 111.212 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -118.75 131.81 24.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.473 0.177 . . . . 15.0 111.127 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -76.32 103.24 1.71 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.595 2.196 . . . . 15.0 111.496 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -115.72 168.21 10.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.46 0.648 . . . . 15.0 111.028 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.547 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -126.39 -168.44 1.86 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.481 -0.781 . . . . 15.0 109.908 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 47.2 t -135.69 120.26 26.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.763 -0.458 . . . . 15.0 109.763 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.61 174.14 10.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.931 0.396 . . . . 15.0 110.862 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -50.87 -33.74 25.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.978 1.103 . . . . 15.0 113.978 -177.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -62.98 1.42 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.748 -0.381 . . . . 15.0 111.697 -177.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.476 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -76.28 -25.78 55.26 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.057 0.391 . . . . 15.0 112.057 -179.132 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 16.7 tp -51.56 -49.96 61.02 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.762 0.652 . . . . 15.0 112.762 -178.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.466 ' H ' ' HG2' ' A' ' 68' ' ' LYS . 26.2 pttt -79.58 -21.57 44.88 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.886 0.328 . . . . 15.0 111.886 -178.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -77.85 -36.55 49.8 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 111.752 0.278 . . . . 15.0 111.752 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.601 -0.714 . . . . 15.0 111.495 -178.815 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptt? . . . . . 0 N--CA 1.486 1.351 0 N-CA-C 110.369 -0.234 . . . . 15.0 110.369 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.8 101.11 4.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.251 0.548 . . . . 15.0 110.555 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.451 ' HB2' ' H ' ' B' ' 4' ' ' ASP . 0.0 OUTLIER -138.22 -158.65 0.88 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.516 -0.765 . . . . 15.0 109.586 -179.749 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . 0.473 ' OD1' ' HA ' ' B' ' 5' ' ' PRO . 21.7 t70 -50.78 142.87 15.79 Favored Pre-proline 0 N--CA 1.47 0.539 0 C-N-CA 122.986 0.514 . . . . 15.0 111.265 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.473 ' HA ' ' OD1' ' B' ' 4' ' ' ASP . 2.1 Cg_endo -82.49 4.06 50.38 Favored 'Cis proline' 0 C--N 1.352 0.712 0 C-N-CA 124.541 -1.024 . . . . 15.0 113.541 1.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' B' ' 6' ' ' GLN . 2.2 mp0 -72.71 105.3 4.24 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.55 -0.537 . . . . 15.0 109.55 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -70.91 -15.53 62.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.999 -0.546 . . . . 15.0 111.316 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 66.22 83.95 0.18 Allowed Pre-proline 0 N--CA 1.467 0.394 0 CA-C-O 120.94 0.4 . . . . 15.0 111.515 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.79 165.06 33.81 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.618 2.212 . . . . 15.0 112.154 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.88 7.61 41.17 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.941 0.348 . . . . 15.0 111.941 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -119.43 131.16 55.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.747 0.308 . . . . 15.0 110.691 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.585 ' HA ' HD11 ' B' ' 52' ' ' ILE . 28.6 tp -54.39 -51.27 79.5 Favored Pre-proline 0 CA--C 1.54 0.561 0 N-CA-C 113.29 0.848 . . . . 15.0 113.29 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.6 Cg_endo -54.2 -33.98 77.18 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.249 1.966 . . . . 15.0 112.554 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -81.89 -27.49 33.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.712 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.537 HD22 HD13 ' B' ' 52' ' ' ILE . 42.7 tp -68.4 -33.95 75.16 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.487 -0.56 . . . . 15.0 109.487 179.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 0.602 ' SG ' HG12 ' B' ' 23' ' ' ILE . 39.0 m -61.15 -35.28 76.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.538 -0.755 . . . . 15.0 110.095 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -33.87 76.58 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.722 -0.672 . . . . 15.0 110.659 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.82 -32.77 74.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.329 0.585 . . . . 15.0 109.653 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 mt -88.54 1.67 54.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.446 -0.797 . . . . 15.0 110.088 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 55.76 39.83 30.77 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.66 -0.7 . . . . 15.0 111.033 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -143.45 -173.51 3.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.984 -0.553 . . . . 15.0 110.065 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -105.2 171.94 7.05 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.491 0.186 . . . . 15.0 110.686 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.602 HG12 ' SG ' ' B' ' 16' ' ' CYS . 10.4 mt -68.2 -12.93 16.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.644 0.735 . . . . 15.0 110.145 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -83.28 -5.11 59.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.36 -0.836 . . . . 15.0 111.479 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -128.99 -10.64 4.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.898 0.38 . . . . 15.0 111.834 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 20.5 tt -69.73 134.84 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.268 0.556 . . . . 15.0 110.987 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -117.16 113.45 42.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.576 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -127.88 145.57 50.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.405 -0.361 . . . . 15.0 110.032 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -107.69 160.57 15.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.704 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.65 141.9 57.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.948 0.404 . . . . 15.0 110.779 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.401 ' HA ' ' CD2' ' B' ' 60' ' ' TYR . 5.2 p -65.04 -33.43 63.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.441 -0.8 . . . . 15.0 112.108 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -110.2 -36.88 5.71 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.714 0.635 . . . . 15.0 112.714 -178.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 m -83.88 -20.77 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.741 0.305 . . . . 15.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 mptt 59.79 24.36 13.33 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.97 -0.559 . . . . 15.0 111.102 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -100.19 139.01 36.48 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.402 -0.592 . . . . 15.0 109.402 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -66.2 125.74 26.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.991 0.424 . . . . 15.0 110.539 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -75.41 129.48 37.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.846 -0.616 . . . . 15.0 110.439 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 54.8 mt -64.21 141.13 58.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.742 -0.466 . . . . 15.0 109.742 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' B' ' 40' ' ' ARG . 0.2 OUTLIER -45.01 -38.96 5.2 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.762 0.652 . . . . 15.0 112.762 -178.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.402 ' N ' ' HG3' ' B' ' 39' ' ' ARG . 13.9 ttp180 -61.8 -48.42 80.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.671 0.272 . . . . 15.0 111.493 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.48 -31.71 70.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 15.0 110.379 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.11 -37.69 74.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.815 -0.63 . . . . 15.0 110.959 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -70.08 -33.92 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 15.0 110.646 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -27.42 63.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.166 0.508 . . . . 15.0 109.856 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -68.02 -37.87 81.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.287 -0.869 . . . . 15.0 110.041 178.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.502 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -83.96 -23.97 30.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.864 -0.607 . . . . 15.0 111.242 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.09 -22.6 60.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.361 0.601 . . . . 15.0 109.763 179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -102.97 155.14 18.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.646 -0.706 . . . . 15.0 109.507 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -80.8 78.87 7.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.321 0.582 . . . . 15.0 110.909 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mp -114.51 179.59 3.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.778 -0.646 . . . . 15.0 110.02 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 1.1 p -131.18 154.41 48.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.502 -0.317 . . . . 15.0 110.477 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.585 HD11 ' HA ' ' B' ' 12' ' ' LEU . 51.1 mt -82.18 127.67 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.368 -0.378 . . . . 15.0 110.442 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' B' ' 60' ' ' TYR . 0.0 OUTLIER -91.2 112.88 25.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 116.011 -0.541 . . . . 15.0 109.997 179.192 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -94.34 110.9 22.63 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.224 0.535 . . . . 15.0 110.396 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -105.31 107.09 17.9 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.541 -0.754 . . . . 15.0 109.406 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 15.1 t0 70.08 22.96 5.47 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.655 -0.702 . . . . 15.0 111.013 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.04 -25.74 20.44 Favored Glycine 0 CA--C 1.51 -0.226 0 C-N-CA 120.886 -0.674 . . . . 15.0 113.032 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -75.0 140.76 74.08 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.712 0.291 . . . . 15.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.85 119.78 6.27 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.521 2.147 . . . . 15.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 71.7 m-85 -125.32 155.12 40.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.888 -0.596 . . . . 15.0 109.727 179.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.93 179.21 4.05 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.187 -0.46 . . . . 15.0 109.986 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 14.1 t -114.7 115.61 50.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.635 -0.505 . . . . 15.0 109.635 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 27.4 p -72.3 170.21 14.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.135 -0.32 . . . . 15.0 110.135 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.535 ' O ' ' HE2' ' B' ' 68' ' ' LYS . 31.3 t70 -57.84 -32.9 68.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.027 -0.533 . . . . 15.0 110.8 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -70.62 -57.09 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.759 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . 0.549 ' HA ' ' HB2' ' B' ' 69' ' ' PHE . 69.3 m -65.66 -26.22 67.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.517 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 0.3 OUTLIER -52.24 -55.0 24.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 15.0 111.316 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.535 ' HE2' ' O ' ' B' ' 64' ' ' ASP . 4.0 pttt -80.98 -12.88 59.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.005 -0.543 . . . . 15.0 111.428 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . 0.549 ' HB2' ' HA ' ' B' ' 66' ' ' CYS . 1.8 m-85 -76.76 -49.02 16.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.755 0.312 . . . . 15.0 111.531 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.428 -0.796 . . . . 15.0 111.408 -178.473 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 110.31 -0.256 . . . . 15.0 110.31 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.513 ' HB2' ' HD3' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -137.65 100.42 4.2 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.381 0.61 . . . . 15.0 110.917 179.523 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.14 -163.6 1.55 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.162 -0.927 . . . . 15.0 108.669 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.433 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 16.7 t70 -47.57 140.44 7.8 Favored Pre-proline 0 N--CA 1.469 0.503 0 O-C-N 123.33 0.394 . . . . 15.0 110.972 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.433 ' HA ' ' OD1' ' A' ' 4' ' ' ASP . 1.8 Cg_endo -83.45 3.22 56.18 Favored 'Cis proline' 0 C--N 1.348 0.545 0 C-N-CA 124.46 -1.058 . . . . 15.0 113.635 1.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.42 HE21 ' HB2' ' A' ' 6' ' ' GLN . 1.7 mp0 -71.0 121.81 18.87 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.378 -0.601 . . . . 15.0 109.378 179.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -80.14 -15.78 56.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.265 -0.425 . . . . 15.0 111.12 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 69.0 86.0 0.13 Allowed Pre-proline 0 N--CA 1.468 0.438 0 O-C-N 123.482 0.489 . . . . 15.0 111.111 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -80.78 154.03 20.06 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.563 2.175 . . . . 15.0 111.537 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -88.17 -1.27 57.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.696 -0.229 . . . . 15.0 111.344 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -110.74 130.34 55.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.9 0.381 . . . . 15.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.584 HD23 ' HB2' ' A' ' 46' ' ' ALA . 19.6 tp -55.18 -49.57 91.54 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.539 -0.755 . . . . 15.0 112.825 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 9.7 Cg_endo -53.2 -33.74 66.11 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.301 2.001 . . . . 15.0 112.733 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -85.13 -30.5 23.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.574 -0.285 . . . . 15.0 111.01 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.651 HD22 HD13 ' A' ' 52' ' ' ILE . 39.5 tp -61.05 -37.82 83.96 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.163 0.506 . . . . 15.0 110.368 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.694 ' SG ' HG12 ' A' ' 23' ' ' ILE . 47.1 m -60.3 -33.95 73.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.607 -0.724 . . . . 15.0 110.49 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.5 m -67.65 -40.41 84.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.136 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.0 -40.4 87.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 15.0 110.607 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.41 -3.5 50.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 15.0 110.942 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 59.57 50.13 7.71 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.93 -0.577 . . . . 15.0 111.334 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -155.15 -174.01 4.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.403 -0.362 . . . . 15.0 110.303 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.8 p -107.74 169.07 8.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 15.0 111.198 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.694 HG12 ' SG ' ' A' ' 16' ' ' CYS . 1.9 mt -75.38 1.71 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.308 0.575 . . . . 15.0 110.643 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -108.0 9.07 28.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.989 -0.55 . . . . 15.0 110.157 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -132.98 -37.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 15.0 111.624 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.6 tt -65.06 128.4 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.509 0.671 . . . . 15.0 112.253 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.1 119.78 62.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.671 -0.695 . . . . 15.0 110.021 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -106.32 160.95 14.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.73 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -118.98 153.88 33.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.014 -0.539 . . . . 15.0 109.666 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 37.9 t -67.43 145.16 55.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.127 0.489 . . . . 15.0 111.271 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.499 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 7.5 p -71.96 -29.84 34.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.62 -0.718 . . . . 15.0 111.664 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -103.37 -46.12 4.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.171 0.434 . . . . 15.0 112.171 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.09 -25.49 36.98 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.715 0.265 . . . . 15.0 111.715 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.1 mptt 63.5 22.21 13.1 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.192 0.52 . . . . 15.0 111.265 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -95.82 147.43 23.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.0 -0.546 . . . . 15.0 109.788 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -73.31 126.97 31.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.998 0.427 . . . . 15.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.56 138.98 43.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.788 -0.642 . . . . 15.0 109.781 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.7 mt -74.7 157.86 34.55 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.071 -0.513 . . . . 15.0 109.983 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -52.76 -35.01 55.65 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.983 0.42 . . . . 15.0 110.974 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -63.99 -39.99 95.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.348 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.12 -33.22 65.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 15.0 110.93 -178.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.1 t -57.48 -40.58 75.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.746 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -70.97 -35.04 71.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 15.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -67.22 -38.67 85.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.194 0.521 . . . . 15.0 109.783 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -65.84 -35.09 79.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.324 -0.853 . . . . 15.0 110.93 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -82.93 -33.63 26.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.826 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -69.23 -35.87 76.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.902 0.382 . . . . 15.0 110.669 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -90.14 155.01 19.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.389 -0.597 . . . . 15.0 109.389 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -82.08 79.81 8.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.511 0.672 . . . . 15.0 110.568 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mp -112.79 171.44 7.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.506 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 68.7 m -129.76 149.56 51.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.908 0.385 . . . . 15.0 110.739 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.651 HD13 HD22 ' A' ' 15' ' ' LEU . 65.4 mt -84.2 136.51 22.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.754 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.468 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -111.89 119.64 60.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.968 -0.56 . . . . 15.0 109.567 179.441 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -94.78 110.26 22.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.964 0.411 . . . . 15.0 111.163 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -84.17 114.05 21.51 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.613 -0.884 . . . . 15.0 108.613 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.0 t70 71.45 -71.01 0.14 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.024 0.827 . . . . 15.0 110.734 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.07 44.03 0.18 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.305 -0.718 . . . . 15.0 111.305 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.411 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 1.3 m-20 -142.33 147.64 44.34 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 110.099 -0.334 . . . . 15.0 110.099 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.513 ' HD3' ' HB2' ' A' ' 2' ' ' PHE . 57.8 Cg_endo -73.85 109.76 2.94 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.333 2.022 . . . . 15.0 112.326 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.499 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 59.8 m-85 -116.58 139.75 50.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.914 -0.585 . . . . 15.0 109.52 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.91 -176.07 2.94 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.352 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 t -115.15 118.15 57.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.034 -0.53 . . . . 15.0 109.575 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 24.6 p -74.02 174.85 8.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.399 -0.364 . . . . 15.0 110.068 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.2 -15.66 63.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.046 0.451 . . . . 15.0 110.206 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.44 ' HB2' ' SG ' ' A' ' 63' ' ' CYS . 3.7 mtpm? -78.63 -57.17 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 15.0 109.752 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 33.8 m -72.95 -15.18 61.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.651 -0.704 . . . . 15.0 111.617 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 5.5 tp -49.63 -43.03 46.52 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.687 -0.688 . . . . 15.0 112.265 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -16.31 53.34 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.725 0.269 . . . . 15.0 111.725 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -77.77 -49.73 13.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.768 0.318 . . . . 15.0 111.618 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.338 -0.839 . . . . 15.0 110.903 -178.922 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.471 0.177 . . . . 15.0 111.447 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.96 133.23 53.75 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.002 -0.279 . . . . 15.0 110.605 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.52 166.5 10.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.848 0.356 . . . . 15.0 110.872 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.83 150.93 41.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.02 -0.536 . . . . 15.0 110.782 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -88.37 -71.57 0.0 OUTLIER 'Cis proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.813 -1.328 . . . . 15.0 113.017 0.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 69.67 -8.5 0.76 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.682 0.793 . . . . 15.0 112.72 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' B' ' 8' ' ' ARG . 38.3 tt0 72.21 -53.0 0.7 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.492 0.717 . . . . 15.0 111.313 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.467 ' HB3' ' OH ' ' B' ' 54' ' ' TYR . 15.0 mtm180 68.99 86.26 0.12 Allowed Pre-proline 0 C--O 1.234 0.27 0 O-C-N 123.831 0.707 . . . . 15.0 111.155 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -65.21 152.18 83.0 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.595 2.197 . . . . 15.0 111.638 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -92.03 18.97 7.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.856 0.36 . . . . 15.0 111.306 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -122.87 128.62 50.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.967 -0.561 . . . . 15.0 109.899 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.49 HD21 HG13 ' B' ' 42' ' ' VAL . 7.1 tp -52.49 -51.88 68.73 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 113.864 1.061 . . . . 15.0 113.864 -177.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 7.5 Cg_endo -52.16 -45.57 38.31 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.198 1.932 . . . . 15.0 112.718 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -72.26 -28.65 63.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.753 0.311 . . . . 15.0 111.252 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 tp -69.01 -34.21 74.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 15.0 110.276 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 62.3 m -59.49 -35.28 73.81 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.912 -0.585 . . . . 15.0 110.704 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -30.17 69.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.217 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -71.24 -34.6 70.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.424 0.631 . . . . 15.0 109.792 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 mt -86.7 -1.76 57.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.232 -0.894 . . . . 15.0 110.697 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 60.48 38.64 19.03 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.646 -0.706 . . . . 15.0 111.532 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.405 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 14.8 t -139.62 -169.97 2.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.101 -0.499 . . . . 15.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -115.86 175.58 5.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.491 -0.322 . . . . 15.0 110.885 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 20.9 mt -72.67 -7.46 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.37 0.605 . . . . 15.0 111.263 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -99.31 -4.89 30.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.157 -0.34 . . . . 15.0 110.798 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.405 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 34.3 t70 -129.28 -10.67 4.66 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 111.892 0.331 . . . . 15.0 111.892 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 11.2 tt -65.16 122.2 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.327 0.584 . . . . 15.0 110.915 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.0 mm -106.21 105.82 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.949 -0.569 . . . . 15.0 110.473 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tp -123.32 138.18 54.67 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -97.71 166.2 11.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.99 0.424 . . . . 15.0 111.2 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 41.5 t -73.93 144.07 45.45 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.599 -0.728 . . . . 15.0 109.925 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.794 HG13 ' HD1' ' B' ' 32' ' ' TYR . 2.5 p -71.43 -24.52 23.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.758 -0.655 . . . . 15.0 111.13 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.794 ' HD1' HG13 ' B' ' 31' ' ' VAL . 26.0 m-85 -108.2 -55.16 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.726 0.269 . . . . 15.0 111.726 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 12.1 m -70.28 -23.2 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 15.0 111.79 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 60.23 30.26 19.71 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.995 0.426 . . . . 15.0 111.637 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -111.57 151.51 28.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.009 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -70.12 127.36 32.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.648 -0.251 . . . . 15.0 110.706 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 mp -77.04 136.42 38.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.297 -0.41 . . . . 15.0 110.036 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.469 ' O ' ' HG2' ' B' ' 41' ' ' GLU . 10.2 mp -81.03 169.68 17.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.948 0.404 . . . . 15.0 110.98 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -56.67 -26.68 57.07 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.912 -0.585 . . . . 15.0 112.379 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -67.91 -52.17 39.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.791 0.329 . . . . 15.0 111.424 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' B' ' 38' ' ' LEU . 1.3 pm0 -71.47 -34.34 70.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.411 -0.359 . . . . 15.0 110.977 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.49 HG13 HD21 ' B' ' 12' ' ' LEU . 60.4 t -61.88 -40.55 87.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.772 -0.455 . . . . 15.0 109.772 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -63.48 -45.71 89.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.582 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.429 ' CG ' HH21 ' B' ' 48' ' ' ARG . 4.5 t0 -59.69 -40.37 87.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.762 -0.654 . . . . 15.0 110.919 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.403 ' HB3' HD22 ' B' ' 12' ' ' LEU . 5.2 t80 -65.59 -33.46 75.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.84 -0.618 . . . . 15.0 111.478 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.76 -33.78 22.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.776 0.322 . . . . 15.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -69.36 -47.21 65.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.572 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.429 HH21 ' CG ' ' B' ' 44' ' ' ASP . 27.5 mtm180 -90.14 136.3 33.13 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.622 -0.51 . . . . 15.0 109.622 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -71.44 89.78 0.95 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.053 0.454 . . . . 15.0 111.067 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.602 HD21 HD21 ' B' ' 67' ' ' LEU . 1.1 mp -111.12 -177.88 3.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 15.0 110.751 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 27.9 m -121.7 138.08 54.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 72.9 mt -80.99 132.09 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.306 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.517 HG21 HG11 ' B' ' 31' ' ' VAL . 1.4 m -91.62 136.04 25.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.049 -0.523 . . . . 15.0 109.669 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' B' ' 59' ' ' PRO . 30.9 m-85 -111.05 110.19 20.62 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.831 0.348 . . . . 15.0 111.457 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.54 103.16 12.66 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.557 -0.905 . . . . 15.0 108.557 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 68.96 -64.27 0.33 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.223 0.952 . . . . 15.0 110.649 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -155.48 -1.72 0.12 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.965 -0.561 . . . . 15.0 112.298 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -102.42 128.24 28.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.723 0.297 . . . . 15.0 111.381 -179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' B' ' 54' ' ' TYR . 60.2 Cg_endo -77.7 116.27 4.0 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.696 2.264 . . . . 15.0 112.177 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -122.91 164.79 17.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.878 0.37 . . . . 15.0 110.149 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.11 169.2 8.7 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.017 0.437 . . . . 15.0 110.791 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 t -104.42 118.76 52.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . 0.68 ' SG ' ' HE3' ' B' ' 65' ' ' LYS . 30.8 p -72.74 172.41 10.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.08 0.467 . . . . 15.0 110.785 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.97 -15.95 62.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.81 -0.632 . . . . 15.0 111.218 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.68 ' HE3' ' SG ' ' B' ' 63' ' ' CYS . 0.0 OUTLIER -81.27 -57.86 3.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.411 . . . . 15.0 110.36 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 6.1 m -69.02 -25.09 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.843 -0.617 . . . . 15.0 111.498 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.602 HD21 HD21 ' B' ' 50' ' ' LEU . 2.0 mt -57.42 -38.46 74.38 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.398 -0.365 . . . . 15.0 111.95 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -79.74 -27.18 40.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.841 0.353 . . . . 15.0 110.984 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -76.51 -47.77 21.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.031 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.776 -0.63 . . . . 15.0 110.616 -179.677 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.596 0.236 . . . . 15.0 110.423 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -123.1 143.16 50.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.362 -0.381 . . . . 15.0 110.167 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -83.51 -177.81 6.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.216 0.532 . . . . 15.0 111.891 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -91.2 144.76 30.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.149 -0.932 . . . . 15.0 110.705 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -92.47 -73.53 0.0 OUTLIER 'Cis proline' 0 N--CA 1.456 -0.73 0 C-N-CA 124.009 -1.246 . . . . 15.0 112.41 -0.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.44 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 13.1 mm-40 -101.78 70.25 1.24 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.265 0.555 . . . . 15.0 111.047 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -85.81 11.24 11.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.805 0.812 . . . . 15.0 109.063 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.63 147.0 57.86 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 114.793 -1.094 . . . . 15.0 110.074 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -80.13 169.65 17.36 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.884 2.39 . . . . 15.0 112.804 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.525 ' HA ' ' OH ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -100.08 9.02 43.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.954 -0.567 . . . . 15.0 111.107 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -111.95 131.53 55.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.308 -0.405 . . . . 15.0 110.034 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.502 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 57.3 tp -53.57 -52.31 68.14 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.828 0.677 . . . . 15.0 112.828 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 11.2 Cg_endo -55.14 -45.94 36.77 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.128 1.886 . . . . 15.0 112.407 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -65.91 -38.74 89.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.075 -0.511 . . . . 15.0 110.256 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.4 tp -60.59 -42.52 96.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.231 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.9 m -63.83 -35.83 81.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.009 -0.542 . . . . 15.0 109.933 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.5 m -66.05 -38.87 89.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.414 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -75.22 -28.78 60.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 15.0 110.452 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.3 tp -81.22 -6.65 59.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.006 -0.543 . . . . 15.0 109.549 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 62.82 45.28 5.78 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.164 -0.926 . . . . 15.0 111.483 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -152.61 179.23 8.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.388 -0.369 . . . . 15.0 110.466 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.92 165.95 11.68 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.373 -0.376 . . . . 15.0 110.453 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.0 mt -67.37 -10.33 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.383 0.611 . . . . 15.0 110.801 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -90.7 -3.2 57.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.931 -0.577 . . . . 15.0 110.722 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -124.66 -24.47 4.16 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.645 0.609 . . . . 15.0 112.645 -178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.1 tt -51.8 118.68 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.547 0.689 . . . . 15.0 111.721 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.7 mm -83.35 98.44 5.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.325 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.3 tp -124.52 120.49 32.14 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.173 -0.677 . . . . 15.0 109.173 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -101.16 173.04 6.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.545 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 47.5 t -70.72 142.54 51.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.495 0.664 . . . . 15.0 111.548 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 p -71.57 -25.81 25.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 114.796 -1.093 . . . . 15.0 110.754 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -107.37 -55.86 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.081 0.4 . . . . 15.0 112.081 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.3 m -68.97 -23.72 64.16 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.874 0.324 . . . . 15.0 111.874 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.0 tptp 62.8 24.94 14.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.113 0.482 . . . . 15.0 110.876 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.04 142.41 36.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.621 -0.511 . . . . 15.0 109.621 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -65.87 132.72 49.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.936 0.398 . . . . 15.0 111.177 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.8 143.79 26.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.48 -0.782 . . . . 15.0 109.924 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.526 ' HB2' ' OE2' ' A' ' 41' ' ' GLU . 54.6 mt -78.68 151.68 32.07 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.008 -0.738 . . . . 15.0 109.008 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.425 ' HD3' ' OH ' ' A' ' 43' ' ' TYR . 2.3 ptp180 -52.85 -27.57 18.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.772 0.656 . . . . 15.0 112.772 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.463 ' H ' ' HG3' ' A' ' 40' ' ' ARG . 4.5 mtm180 -63.02 -52.06 64.38 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.64 0.257 . . . . 15.0 111.199 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.526 ' OE2' ' HB2' ' A' ' 38' ' ' LEU . 1.5 pm0 -71.05 -22.93 62.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.52 -0.309 . . . . 15.0 110.929 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 38' ' ' LEU . 79.5 t -64.62 -34.21 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.083 0.468 . . . . 15.0 109.853 178.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.425 ' OH ' ' HD3' ' A' ' 39' ' ' ARG . 17.3 m-85 -61.43 -28.36 69.21 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.627 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 23.8 m-20 -64.45 -32.19 73.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.78 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.459 ' HB3' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -68.14 -33.66 74.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.98 -0.555 . . . . 15.0 110.695 179.545 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.45 -37.88 17.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.123 -0.489 . . . . 15.0 111.132 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -63.93 -48.8 75.14 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.963 0.411 . . . . 15.0 110.692 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 -94.9 162.96 13.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.257 -0.646 . . . . 15.0 109.257 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -88.16 105.15 17.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.01 0.433 . . . . 15.0 110.002 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.6 mt -133.5 174.66 10.18 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.016 -0.538 . . . . 15.0 110.385 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.6 m -121.69 149.47 43.18 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.058 -0.519 . . . . 15.0 109.967 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.3 mt -80.16 126.49 39.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.109 -0.496 . . . . 15.0 109.761 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.63 113.32 26.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.232 0.539 . . . . 15.0 110.936 -179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.525 ' OH ' ' HA ' ' A' ' 10' ' ' ARG . 37.1 m-85 -95.39 108.35 20.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.949 -0.569 . . . . 15.0 109.558 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -99.15 118.85 36.81 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.321 -0.622 . . . . 15.0 109.321 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.492 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 18.5 t70 74.98 -45.84 0.58 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.002 0.814 . . . . 15.0 110.902 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 171.68 -26.35 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.527 -0.629 . . . . 15.0 111.527 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -81.47 144.7 53.68 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 110.518 -0.179 . . . . 15.0 110.518 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 7.5 Cg_endo -82.39 119.53 3.07 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.387 2.058 . . . . 15.0 111.733 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -121.35 168.98 11.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.193 0.521 . . . . 15.0 110.946 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.47 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -118.77 -171.26 2.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.547 -0.752 . . . . 15.0 110.308 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.53 ' CG1' ' HB2' ' A' ' 66' ' ' CYS . 5.5 t -127.66 124.66 63.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.423 -0.584 . . . . 15.0 109.423 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.5 p -78.11 170.15 17.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.168 -0.308 . . . . 15.0 110.168 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -53.93 -33.77 57.7 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.268 0.355 . . . . 15.0 111.916 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.53 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 17.0 mtpt -57.05 -60.07 4.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 15.0 111.355 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.53 ' HB2' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -75.23 -29.4 60.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.813 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.41 -46.75 76.62 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.747 0.647 . . . . 15.0 112.747 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' A' ' 65' ' ' LYS . 15.5 pttt -72.68 -17.72 61.62 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.984 -0.286 . . . . 15.0 111.407 -178.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -80.07 -38.03 32.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.319 -0.401 . . . . 15.0 110.276 178.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.79 -0.624 . . . . 15.0 110.913 -179.542 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mmm . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.257 -0.275 . . . . 15.0 110.257 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.37 174.28 10.76 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.832 -0.433 . . . . 15.0 109.832 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -90.06 155.37 19.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.423 0.63 . . . . 15.0 111.678 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . 0.614 ' CG ' ' HA ' ' B' ' 5' ' ' PRO . 8.2 t70 -80.65 151.62 71.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 114.959 -1.018 . . . . 15.0 109.954 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.614 ' HA ' ' CG ' ' B' ' 4' ' ' ASP . 11.0 Cg_endo -90.63 -88.0 0.0 OUTLIER 'Cis proline' 0 N--CA 1.456 -0.7 0 C-N-CA 124.052 -1.228 . . . . 15.0 112.836 -0.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -109.05 36.72 2.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.823 0.344 . . . . 15.0 110.291 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -75.54 67.06 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.84 -0.618 . . . . 15.0 110.031 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.493 ' HB3' ' CZ ' ' B' ' 54' ' ' TYR . 15.1 mtm180 -144.06 114.46 5.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.869 -0.605 . . . . 15.0 110.854 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.32 159.85 51.51 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.617 2.211 . . . . 15.0 111.75 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -96.87 7.38 46.74 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.276 0.473 . . . . 15.0 112.276 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -118.6 136.02 54.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.815 0.34 . . . . 15.0 110.902 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.526 ' HA ' HD11 ' B' ' 52' ' ' ILE . 40.2 tp -56.67 -55.0 47.78 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 113.103 0.779 . . . . 15.0 113.103 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 12.2 Cg_endo -55.75 -34.5 91.11 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.017 1.811 . . . . 15.0 112.576 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -75.28 -40.88 58.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.694 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.82 -34.19 74.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 15.0 110.898 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 69.2 m -57.18 -37.7 72.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.343 -0.389 . . . . 15.0 111.213 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -64.35 -41.62 96.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.013 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' B' ' 18' ' ' GLU . 0.1 OUTLIER -69.24 -34.72 75.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.807 -0.633 . . . . 15.0 110.57 -179.357 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 21.5 mt -84.49 -2.21 56.92 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.952 -0.567 . . . . 15.0 111.57 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 61.71 39.68 13.95 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.02 0.438 . . . . 15.0 111.271 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.473 ' OG1' ' HB3' ' B' ' 25' ' ' ASP . 14.8 t -146.52 -168.4 3.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.367 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 45.3 p -126.37 177.06 6.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 15.0 111.21 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.0 mt -65.61 -19.36 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.848 -0.615 . . . . 15.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -86.7 -6.58 58.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 15.0 111.638 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.473 ' HB3' ' OG1' ' B' ' 21' ' ' THR . 31.8 t70 -128.34 -30.87 2.34 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.787 0.662 . . . . 15.0 112.787 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.5 tt -46.26 125.5 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.467 0.651 . . . . 15.0 112.222 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mm -96.48 109.94 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.64 -0.709 . . . . 15.0 110.05 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.877 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.2 tp -125.72 134.67 51.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.155 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -102.82 159.35 15.56 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.51 -0.552 . . . . 15.0 109.51 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 53.3 t -67.82 143.67 55.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.027 0.441 . . . . 15.0 109.983 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.66 -23.55 22.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.024 -0.535 . . . . 15.0 111.292 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -110.02 -53.04 2.72 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.093 -0.243 . . . . 15.0 111.439 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -72.62 -25.16 61.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.827 0.346 . . . . 15.0 111.117 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 2.8 mptm? 56.85 32.45 21.43 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.873 -0.603 . . . . 15.0 111.358 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -110.43 165.72 11.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.403 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -65.05 118.57 9.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.048 -0.523 . . . . 15.0 110.534 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.2 137.95 53.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.278 -0.419 . . . . 15.0 109.92 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 42' ' ' VAL . 0.3 OUTLIER -66.92 136.38 55.27 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.211 -0.663 . . . . 15.0 109.211 179.205 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -54.92 -30.6 58.84 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.161 0.288 . . . . 15.0 111.435 -178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -68.97 -41.23 78.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.689 0.28 . . . . 15.0 110.285 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.42 -27.27 65.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.728 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 38' ' ' LEU . 57.6 t -61.21 -34.23 59.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.296 -0.631 . . . . 15.0 109.296 178.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -71.49 -36.41 71.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.548 -0.751 . . . . 15.0 110.058 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -66.92 -38.01 85.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.557 -0.534 . . . . 15.0 109.557 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -62.56 -33.98 76.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.884 -0.598 . . . . 15.0 110.538 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.463 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -85.96 -17.63 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.689 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -76.5 -49.62 16.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.737 -0.665 . . . . 15.0 109.867 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -89.49 151.4 22.01 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.834 -0.802 . . . . 15.0 108.834 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -83.62 89.52 7.13 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.313 -0.555 . . . . 15.0 111.318 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.86 173.18 6.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.352 -0.611 . . . . 15.0 109.352 178.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 82.0 m -118.87 147.31 44.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.718 0.294 . . . . 15.0 110.504 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' B' ' 12' ' ' LEU . 48.3 mt -80.22 126.16 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.306 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.59 125.96 43.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.659 -0.7 . . . . 15.0 109.972 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 74.8 m-85 -107.87 109.35 20.85 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.175 -0.466 . . . . 15.0 111.485 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -91.9 115.0 27.69 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.295 -1.002 . . . . 15.0 108.295 178.454 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 1.6 m-20 71.35 -73.58 0.1 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.918 0.761 . . . . 15.0 110.696 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.2 27.35 0.14 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.578 -0.82 . . . . 15.0 112.703 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -127.49 138.06 32.01 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 122.651 -0.323 . . . . 15.0 110.557 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.534 ' HB2' HD11 ' B' ' 28' ' ' LEU . 32.4 Cg_endo -66.09 121.68 9.05 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.722 2.282 . . . . 15.0 112.467 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -126.76 144.04 51.07 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.28 -0.418 . . . . 15.0 110.026 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.877 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -110.3 -175.61 2.77 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.071 -0.513 . . . . 15.0 110.194 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' B' ' 66' ' ' CYS . 3.6 t -118.26 114.06 43.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' B' ' 67' ' ' LEU . 24.7 p -68.95 165.92 19.0 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.819 -0.437 . . . . 15.0 109.819 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 26.8 t0 -53.87 -26.74 26.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.758 0.651 . . . . 15.0 112.758 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -64.45 -59.6 4.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.063 0.458 . . . . 15.0 110.489 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . 0.488 ' HB2' ' CG1' ' B' ' 62' ' ' VAL . 0.0 OUTLIER -75.15 -30.77 60.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' B' ' 63' ' ' CYS . 13.9 tp -53.03 -52.05 59.71 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.862 0.69 . . . . 15.0 112.862 -178.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 0.0 OUTLIER -72.35 -29.02 63.41 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.178 0.436 . . . . 15.0 112.178 -178.284 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -78.71 -29.45 45.44 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.362 0.504 . . . . 15.0 112.362 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.232 -0.889 . . . . 15.0 112.017 -178.579 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttp . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.891 -0.411 . . . . 15.0 109.891 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.424 ' HB2' ' HD2' ' A' ' 8' ' ' ARG . 5.9 m-85 -84.13 167.03 17.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.363 -0.38 . . . . 15.0 110.579 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -133.45 179.21 6.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.644 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.04 149.36 92.2 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.076 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -95.88 27.91 17.74 Favored 'Cis proline' 0 N--CA 1.459 -0.558 0 C-N-CA 124.05 -1.229 . . . . 15.0 112.243 0.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.436 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 94.7 mt-30 -77.77 93.47 4.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.759 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.501 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 2.5 mm-40 -80.58 -0.57 38.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.984 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.501 ' NH1' ' HA ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER 68.33 148.94 0.12 Allowed Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 115.751 -0.659 . . . . 15.0 112.393 178.685 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.65 -147.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.584 2.189 . . . . 15.0 110.879 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -140.05 5.72 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.645 -0.422 . . . . 15.0 111.595 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -131.54 151.18 51.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.66 0.267 . . . . 15.0 110.841 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.637 ' HA ' HD11 ' A' ' 52' ' ' ILE . 40.1 tp -59.35 -54.42 56.31 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.955 -0.566 . . . . 15.0 112.401 -179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.8 Cg_endo -55.05 -34.19 86.26 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.045 1.83 . . . . 15.0 111.928 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 13.9 mt-30 -71.25 -35.09 71.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.948 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.8 tp -73.23 -34.68 66.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.86 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' SG ' HG12 ' A' ' 23' ' ' ILE . 73.1 m -57.13 -40.94 78.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.988 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -28.72 65.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.311 -0.404 . . . . 15.0 111.422 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 7.8 mm-40 -70.04 -33.71 72.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.253 0.549 . . . . 15.0 109.724 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 tp -91.09 -3.46 57.11 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.573 -0.739 . . . . 15.0 110.382 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 60.91 46.98 8.03 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.589 -0.732 . . . . 15.0 111.213 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.5 t -150.19 -175.65 5.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.143 -0.481 . . . . 15.0 110.509 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.3 p -107.76 174.98 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.073 0.463 . . . . 15.0 111.628 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.447 ' HA ' HG22 ' A' ' 26' ' ' ILE . 16.3 mt -70.92 -19.06 21.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 115.755 -0.657 . . . . 15.0 111.152 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -86.96 -8.82 56.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.729 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -114.78 -32.87 5.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.274 -0.421 . . . . 15.0 111.988 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.447 HG22 ' HA ' ' A' ' 23' ' ' ILE . 19.8 tt -60.59 124.41 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-O 121.4 0.619 . . . . 15.0 111.843 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.1 mm -112.44 112.31 39.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.928 -0.578 . . . . 15.0 110.135 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 mp -117.65 160.8 20.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.164 -0.471 . . . . 15.0 110.658 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -120.11 166.25 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.876 -0.416 . . . . 15.0 109.876 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.2 t -70.73 144.87 50.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.247 0.546 . . . . 15.0 110.949 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.78 -31.64 49.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.288 -0.869 . . . . 15.0 111.978 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -116.32 -32.66 5.22 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.951 0.723 . . . . 15.0 112.951 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.6 m -82.16 -22.27 36.15 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.815 -0.354 . . . . 15.0 110.476 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 61.25 20.21 10.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.887 -0.597 . . . . 15.0 110.844 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.34 143.73 25.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.791 -0.64 . . . . 15.0 110.069 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -70.42 122.87 20.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.432 -0.349 . . . . 15.0 110.432 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mp -79.88 120.89 24.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.415 -0.357 . . . . 15.0 110.157 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.3 mt -69.78 157.89 36.49 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.177 -0.675 . . . . 15.0 109.177 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -54.21 -28.49 41.32 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.016 0.436 . . . . 15.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -61.2 -44.15 97.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 15.0 110.182 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.65 -31.35 57.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.48 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 38' ' ' LEU . 47.6 t -64.7 -36.1 76.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.526 -0.546 . . . . 15.0 109.526 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -65.92 -37.48 86.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.775 -0.648 . . . . 15.0 109.917 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.5 -33.63 76.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 15.0 110.023 179.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.438 ' CE2' HD23 ' A' ' 50' ' ' LEU . 14.3 t80 -70.83 -37.02 73.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.488 -0.778 . . . . 15.0 110.364 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -81.32 -20.85 39.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.01 0.433 . . . . 15.0 111.276 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -66.38 -25.9 67.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 15.0 110.506 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -124.27 172.8 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.903 -0.589 . . . . 15.0 110.299 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -99.29 90.43 4.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.673 -0.491 . . . . 15.0 109.673 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.438 HD23 ' CE2' ' A' ' 45' ' ' PHE . 17.0 tp -120.91 151.67 39.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.967 -0.56 . . . . 15.0 110.12 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.57 139.54 30.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.421 -0.354 . . . . 15.0 111.016 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.637 HD11 ' HA ' ' A' ' 12' ' ' LEU . 21.6 mt -80.62 133.18 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.777 -0.453 . . . . 15.0 109.777 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 m -93.69 113.51 28.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.478 0.656 . . . . 15.0 111.008 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' A' ' 59' ' ' PRO . 76.6 m-85 -100.44 110.05 22.22 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.109 -0.496 . . . . 15.0 109.67 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.39 125.26 46.64 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.136 -0.32 . . . . 15.0 110.136 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 71.55 -62.04 0.47 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.287 0.992 . . . . 15.0 110.73 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.401 ' H ' ' H ' ' A' ' 58' ' ' ASN . . . 177.75 16.73 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.591 -0.604 . . . . 15.0 111.591 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.627 ' OD1' ' HD2' ' A' ' 59' ' ' PRO . 4.6 t-20 -117.36 132.51 23.5 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 110.15 -0.315 . . . . 15.0 110.15 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.627 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 35.6 Cg_endo -67.21 116.54 4.24 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.675 2.25 . . . . 15.0 112.15 178.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 58' ' ' ASN . 38.8 m-85 -121.45 147.79 45.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.944 0.402 . . . . 15.0 110.561 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.15 170.3 8.26 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.164 -0.471 . . . . 15.0 109.901 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.5 t -98.65 113.6 33.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.328 -0.619 . . . . 15.0 109.328 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 24.8 p -69.03 167.97 14.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.268 0.556 . . . . 15.0 111.412 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -26.58 65.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.256 -0.884 . . . . 15.0 110.08 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -74.98 -58.53 3.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.65 -0.705 . . . . 15.0 110.623 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 99.0 m -59.52 -33.28 71.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.025 -0.534 . . . . 15.0 111.182 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.09 -42.97 91.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 15.0 110.548 179.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -80.97 -26.82 36.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.894 -0.594 . . . . 15.0 111.441 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -75.59 -52.48 10.49 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.051 0.389 . . . . 15.0 112.051 -178.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.626 -0.702 . . . . 15.0 111.031 -178.461 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptm . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.7 0.286 . . . . 15.0 110.305 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.545 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -155.63 118.92 4.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.394 -0.366 . . . . 15.0 110.127 -179.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.02 -165.92 2.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.251 -0.432 . . . . 15.0 110.374 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . 0.475 ' OD1' ' HA ' ' B' ' 5' ' ' PRO . 23.5 t70 -42.55 139.47 1.95 Allowed Pre-proline 0 N--CA 1.472 0.655 0 O-C-N 124.012 0.82 . . . . 15.0 112.058 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.475 ' HA ' ' OD1' ' B' ' 4' ' ' ASP . 5.7 Cg_exo -78.59 0.78 31.16 Favored 'Cis proline' 0 C--N 1.35 0.62 0 C-N-CA 124.215 -1.16 . . . . 15.0 113.849 0.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.489 ' HG2' ' CZ ' ' B' ' 2' ' ' PHE . 2.2 mp0 -73.94 118.32 16.76 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.652 -0.499 . . . . 15.0 109.652 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -82.61 -18.7 40.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.179 -0.464 . . . . 15.0 111.312 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.545 ' HD3' ' O ' ' B' ' 2' ' ' PHE . 4.2 mtm180 69.79 93.3 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.422 0 CA-C-N 116.164 -0.471 . . . . 15.0 111.171 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -76.76 -179.0 4.94 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.578 2.185 . . . . 15.0 112.127 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.401 ' HD2' ' N ' ' B' ' 10' ' ' ARG . 3.0 mpt_? -106.16 -4.74 19.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.157 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' B' ' 11' ' ' LYS . 50.8 mmtt -114.9 141.44 47.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.013 0.435 . . . . 15.0 110.43 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.567 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 13.4 tp -58.17 -48.68 96.6 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 113.53 0.937 . . . . 15.0 113.53 -178.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 1.8 Cg_endo -45.85 -51.03 8.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 122.898 2.399 . . . . 15.0 113.762 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -74.51 -29.68 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.679 0.276 . . . . 15.0 111.256 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 tp -62.24 -34.47 76.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.184 0.516 . . . . 15.0 109.818 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 0.411 ' SG ' HG12 ' B' ' 23' ' ' ILE . 51.6 m -65.53 -38.19 88.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.633 -0.712 . . . . 15.0 110.26 179.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -37.75 86.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 15.0 110.678 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.69 -35.7 80.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.344 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -89.24 -1.12 57.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.728 -0.669 . . . . 15.0 110.561 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 56.23 41.42 29.32 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.84 -0.618 . . . . 15.0 110.826 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -136.71 178.66 6.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.929 -0.578 . . . . 15.0 110.877 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 29.7 p -99.23 168.33 10.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.238 -0.437 . . . . 15.0 111.059 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.411 HG12 ' SG ' ' B' ' 16' ' ' CYS . 3.4 mt -75.21 0.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.366 0.603 . . . . 15.0 110.567 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -101.55 -7.16 23.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 15.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -114.22 -29.81 6.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 15.0 111.643 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 15.7 tt -63.87 112.87 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.555 0.693 . . . . 15.0 111.11 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 51.0 mm -110.19 118.88 58.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.638 -0.71 . . . . 15.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' B' ' 37' ' ' LEU . 1.4 mp -114.14 155.76 25.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.921 -0.582 . . . . 15.0 109.828 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.423 ' HG3' ' CE2' ' B' ' 60' ' ' TYR . 1.6 pt-20 -103.19 161.39 13.84 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.766 0.317 . . . . 15.0 110.692 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . 0.51 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 53.9 t -74.37 143.96 44.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.309 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.498 HG13 ' CD2' ' B' ' 32' ' ' TYR . 3.2 p -77.46 -33.69 19.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.826 -0.624 . . . . 15.0 111.361 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.514 ' HB2' ' SG ' ' B' ' 66' ' ' CYS . 92.4 m-85 -96.74 -52.47 3.89 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.06 -0.256 . . . . 15.0 111.412 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 m -76.46 -25.46 54.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.655 -0.248 . . . . 15.0 111.401 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 28.8 mttt 61.43 28.61 17.96 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.468 0.651 . . . . 15.0 110.677 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -98.16 163.19 12.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.28 -0.873 . . . . 15.0 109.902 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -81.12 116.19 20.92 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.113 -0.328 . . . . 15.0 110.113 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' B' ' 61' ' ' ALA . 7.9 mp -81.08 126.07 30.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.871 0.367 . . . . 15.0 110.23 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 68.8 mt -78.27 171.98 14.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.151 -0.477 . . . . 15.0 109.778 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -59.96 -14.61 16.74 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.663 0.268 . . . . 15.0 111.474 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -60.76 -52.01 66.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.043 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.54 -31.46 65.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.59 . . . . 15.0 110.656 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.1 -38.17 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.954 0.407 . . . . 15.0 110.96 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -71.37 -36.94 71.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.628 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -69.4 -36.3 76.62 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.01 -34.67 76.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.822 -1.081 . . . . 15.0 110.692 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.12 -33.65 22.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 15.0 111.359 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -68.52 -50.07 54.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.99 0.424 . . . . 15.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -92.83 162.46 14.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.749 -0.463 . . . . 15.0 109.749 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -81.0 80.93 7.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.47 0.652 . . . . 15.0 111.438 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.56 144.98 30.28 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.61 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.95 148.66 25.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.906 -0.588 . . . . 15.0 110.25 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 70.8 mt -80.69 131.94 32.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.933 0.397 . . . . 15.0 110.165 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -103.2 125.17 57.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.05 -0.523 . . . . 15.0 109.727 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -94.8 108.91 20.93 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.451 -0.5 . . . . 15.0 110.616 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -91.85 109.54 20.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.765 -0.652 . . . . 15.0 109.421 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 66.37 15.09 9.99 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.437 -0.801 . . . . 15.0 110.968 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.56 -7.04 49.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.717 -0.754 . . . . 15.0 112.648 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -99.83 141.28 22.5 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 110.031 -0.359 . . . . 15.0 110.031 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.07 118.46 5.45 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.723 2.282 . . . . 15.0 113.132 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' B' ' 29' ' ' GLU . 7.4 m-85 -124.21 166.59 15.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.83 -0.623 . . . . 15.0 109.693 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.489 ' HB3' HD22 ' B' ' 37' ' ' LEU . . . -123.68 179.64 4.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.119 0.485 . . . . 15.0 111.558 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.513 HG13 ' HB2' ' B' ' 66' ' ' CYS . 22.0 t -120.22 121.26 65.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.537 -0.756 . . . . 15.0 110.104 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 6.8 p -83.64 176.32 9.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.66 0.267 . . . . 15.0 110.492 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.29 -27.86 67.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.051 0.453 . . . . 15.0 110.834 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -66.92 -57.74 6.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.989 -0.551 . . . . 15.0 111.053 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . 0.514 ' SG ' ' HB2' ' B' ' 32' ' ' TYR . 7.2 m -70.72 -24.18 62.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.884 -178.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -49.03 68.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.218 0.532 . . . . 15.0 111.34 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.01 -22.6 39.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.797 -0.638 . . . . 15.0 111.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.44 -54.2 6.72 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.825 0.676 . . . . 15.0 112.825 -178.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 C--O 1.255 1.392 0 CA-C-O 118.867 -0.587 . . . . 15.0 111.279 -178.596 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.518 0.199 . . . . 15.0 111.307 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -89.23 152.55 21.51 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.301 -0.259 . . . . 15.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.43 -172.52 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.072 0.463 . . . . 15.0 111.149 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.45 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 30.2 t70 -135.04 144.61 50.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.604 -0.725 . . . . 15.0 109.534 -179.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.45 ' HA ' ' OD1' ' A' ' 4' ' ' ASP . 10.3 Cg_endo -90.6 -76.9 0.0 OUTLIER 'Cis proline' 0 N--CA 1.46 -0.491 0 C-N-CA 124.283 -1.132 . . . . 15.0 113.422 0.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 70.95 -1.41 2.68 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.54 0.736 . . . . 15.0 112.143 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 8' ' ' ARG . 41.9 tt0 70.96 -42.34 0.53 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.546 0.738 . . . . 15.0 112.163 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.507 ' HB2' ' O ' ' A' ' 7' ' ' GLU . 3.7 mtm180 76.64 117.0 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.271 0 C-N-CA 123.624 0.77 . . . . 15.0 110.649 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -72.25 138.94 31.31 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.36 2.04 . . . . 15.0 112.421 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -90.15 6.8 41.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.205 -0.452 . . . . 15.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -125.3 134.7 52.16 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.45 -0.341 . . . . 15.0 110.185 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 23.8 tp -51.63 -51.48 69.4 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 114.093 1.146 . . . . 15.0 114.093 -177.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 6.8 Cg_endo -49.85 -40.61 48.4 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.466 2.11 . . . . 15.0 113.436 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -76.88 -24.92 52.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.734 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.454 HD22 HD13 ' A' ' 52' ' ' ILE . 41.6 tp -68.63 -34.45 75.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.8 0.333 . . . . 15.0 110.602 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 m -59.26 -35.61 74.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -66.33 -34.04 77.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.973 -0.558 . . . . 15.0 111.576 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -73.92 -27.34 60.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 15.0 111.15 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.4 mt -95.99 -0.53 50.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.877 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 59.47 56.95 3.49 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.542 -0.754 . . . . 15.0 111.731 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -161.15 179.74 8.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.491 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -103.81 170.58 7.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.888 0.375 . . . . 15.0 111.309 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' HA ' HG22 ' A' ' 26' ' ' ILE . 29.6 mt -65.06 -22.48 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.32 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -84.64 0.36 50.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.157 -179.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -127.24 -29.42 2.74 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.006 0.372 . . . . 15.0 112.006 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 23' ' ' ILE . 15.2 tt -59.21 121.85 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.513 0.673 . . . . 15.0 111.7 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 mm -110.58 120.49 61.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.707 -0.679 . . . . 15.0 109.593 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tp -121.51 151.07 40.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.38 -0.373 . . . . 15.0 110.151 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -100.1 155.84 17.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.393 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.6 t -68.28 143.78 55.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.043 -0.526 . . . . 15.0 110.399 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 p -62.63 -33.83 61.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.769 -0.65 . . . . 15.0 111.541 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -105.13 -54.11 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.948 0.351 . . . . 15.0 111.948 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.8 m -70.82 -25.35 62.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.108 0.411 . . . . 15.0 112.108 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.5 mttp 60.67 30.89 20.03 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.602 0.715 . . . . 15.0 110.08 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -102.85 142.33 34.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.076 -0.966 . . . . 15.0 110.099 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -68.26 123.04 19.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 mp -77.4 148.44 35.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.209 -0.451 . . . . 15.0 110.606 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.552 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . 66.0 mt -84.62 167.61 16.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.534 -0.543 . . . . 15.0 109.534 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.2 ptt-85 -66.11 -20.32 66.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.651 0.263 . . . . 15.0 110.969 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -64.24 -53.01 55.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.805 0.336 . . . . 15.0 110.698 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.552 ' OE1' ' HB2' ' A' ' 38' ' ' LEU . 1.1 pm0 -72.0 -33.0 67.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.259 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.459 HG13 HD21 ' A' ' 12' ' ' LEU . 24.4 t -60.85 -42.53 92.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 109.749 -0.463 . . . . 15.0 109.749 178.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -65.12 -42.06 94.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.954 -0.566 . . . . 15.0 110.05 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -66.12 -33.07 74.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.686 -0.688 . . . . 15.0 110.425 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 50' ' ' LEU . 13.6 t80 -69.18 -40.18 78.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.471 -0.786 . . . . 15.0 110.437 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.62 -13.25 52.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.915 -0.584 . . . . 15.0 111.315 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -70.34 -45.5 66.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.085 -0.507 . . . . 15.0 110.034 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.5 mtm-85 -104.92 -176.08 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.228 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -96.04 88.87 5.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.151 0.5 . . . . 15.0 111.126 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 45' ' ' PHE . 87.5 mt -115.66 149.92 37.58 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.882 -0.599 . . . . 15.0 109.596 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.4 p -101.15 147.84 25.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.817 0.342 . . . . 15.0 111.777 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.477 HD11 ' HA ' ' A' ' 12' ' ' LEU . 76.1 mt -81.3 134.64 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.019 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.2 t -91.34 113.85 27.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.501 -0.555 . . . . 15.0 109.501 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 26.9 m-85 -94.19 113.08 24.95 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.058 0.456 . . . . 15.0 111.406 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.593 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -102.31 107.01 17.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.662 -0.699 . . . . 15.0 109.144 178.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.8 25.22 8.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.503 -0.771 . . . . 15.0 110.667 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.13 -7.96 75.91 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.812 -0.709 . . . . 15.0 112.365 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -91.94 134.85 28.11 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 110.442 -0.207 . . . . 15.0 110.442 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.3 120.36 6.5 Favored 'Trans proline' 0 CA--C 1.528 0.195 0 C-N-CA 122.722 2.281 . . . . 15.0 112.989 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.409 ' CD2' ' HB2' ' A' ' 55' ' ' ARG . 56.1 m-85 -126.17 151.03 47.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.045 -0.525 . . . . 15.0 110.058 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.73 172.57 6.75 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.307 -0.406 . . . . 15.0 110.301 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.18 117.06 54.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.552 -0.536 . . . . 15.0 109.552 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 26.6 p -72.89 168.03 19.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.968 0.414 . . . . 15.0 110.601 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.77 -24.7 64.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.016 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.2 -53.95 6.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.635 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 89.6 m -65.14 -24.9 67.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 15.0 112.076 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -60.12 -36.37 77.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.245 0.545 . . . . 15.0 110.377 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -82.51 -19.34 38.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.379 -0.828 . . . . 15.0 110.442 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -79.3 -48.02 14.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.008 -0.542 . . . . 15.0 112.096 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.859 -0.591 . . . . 15.0 111.575 -178.843 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ptm . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.812 0.339 . . . . 15.0 110.267 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.4 ' CZ ' ' HG2' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -141.65 106.75 4.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.459 -0.337 . . . . 15.0 110.5 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.32 -173.66 3.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.835 -0.621 . . . . 15.0 109.829 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . 0.493 ' OD1' ' HA ' ' B' ' 5' ' ' PRO . 26.0 t70 -42.94 140.26 1.94 Allowed Pre-proline 0 N--CA 1.47 0.569 0 O-C-N 124.026 0.829 . . . . 15.0 111.511 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.493 ' HA ' ' OD1' ' B' ' 4' ' ' ASP . 56.4 Cg_endo -69.63 -15.23 12.27 Favored 'Cis proline' 0 C--N 1.349 0.601 0 C-N-CA 124.089 -1.213 . . . . 15.0 114.623 1.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.408 HE21 ' HB2' ' B' ' 6' ' ' GLN . 2.0 mp0 -66.46 132.36 48.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.89 0.376 . . . . 15.0 110.662 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -113.0 -6.75 13.73 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.806 -0.358 . . . . 15.0 111.452 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 64.45 89.1 0.11 Allowed Pre-proline 0 C--O 1.233 0.216 0 CA-C-O 121.075 0.464 . . . . 15.0 110.522 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -73.08 168.73 23.98 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.556 2.171 . . . . 15.0 112.386 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -91.41 0.93 57.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.177 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -104.86 122.05 44.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.158 -0.474 . . . . 15.0 110.527 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 15.1 tp -52.6 -52.31 65.14 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 116.006 -0.543 . . . . 15.0 111.934 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 19.2 Cg_endo -59.64 -33.8 96.59 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.091 1.861 . . . . 15.0 112.549 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -74.51 -27.84 60.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.722 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.405 HD23 HD11 ' B' ' 26' ' ' ILE . 44.5 tp -64.97 -34.68 79.01 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.825 -0.806 . . . . 15.0 108.825 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 7.5 m -65.06 -30.09 71.03 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.579 -0.737 . . . . 15.0 109.849 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -43.58 83.22 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.856 -0.611 . . . . 15.0 110.495 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -68.73 -35.89 77.71 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.075 0.464 . . . . 15.0 109.93 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 38.3 mt -74.93 -10.89 59.92 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.518 -0.764 . . . . 15.0 110.369 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 60.47 40.35 17.24 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.662 -0.699 . . . . 15.0 110.951 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -138.68 -172.37 3.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.46 -0.791 . . . . 15.0 109.57 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 38.2 p -108.04 172.4 6.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 15.0 111.426 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.39 1.98 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.348 0.594 . . . . 15.0 110.754 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -104.59 -1.87 25.9 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.742 -0.466 . . . . 15.0 109.742 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -121.37 -20.21 6.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.981 -0.554 . . . . 15.0 111.429 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.405 HD11 HD23 ' B' ' 15' ' ' LEU . 11.7 tt -67.61 125.55 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.008 0.432 . . . . 15.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 33.6 mm -129.21 126.03 63.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 15.0 110.613 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -117.72 160.58 21.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.995 -0.548 . . . . 15.0 109.713 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -110.48 158.97 17.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.925 0.393 . . . . 15.0 111.199 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 43.1 t -68.23 140.97 56.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.51 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -72.08 -22.01 20.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.972 -0.558 . . . . 15.0 111.246 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -106.96 -43.69 4.59 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.931 0.345 . . . . 15.0 111.931 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 15.2 m -85.65 -21.3 28.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.986 0.365 . . . . 15.0 111.986 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.7 mptt 63.56 15.41 8.84 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.291 -0.413 . . . . 15.0 110.728 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -93.27 144.33 25.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 15.0 110.243 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -72.09 132.36 44.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.972 0.415 . . . . 15.0 111.343 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mp -87.98 141.8 28.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.867 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 40.6 mt -80.02 162.29 24.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.342 -0.39 . . . . 15.0 110.369 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -52.45 -36.78 55.4 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.124 -0.489 . . . . 15.0 110.838 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -62.07 -44.86 95.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.892 -0.595 . . . . 15.0 110.659 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.06 -33.67 70.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.183 -0.462 . . . . 15.0 110.666 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.9 t -62.18 -40.02 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.059 0.457 . . . . 15.0 109.884 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -74.4 -32.37 62.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.342 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.34 -34.62 77.7 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.028 -0.73 . . . . 15.0 109.028 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.36 -44.43 87.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.001 -1.0 . . . . 15.0 110.278 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.47 -13.19 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.886 -0.597 . . . . 15.0 111.504 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.08 -33.76 76.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.503 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 30.7 mtt85 -114.3 -177.89 3.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.839 -0.43 . . . . 15.0 109.839 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.78 84.88 7.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.076 0.465 . . . . 15.0 110.698 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.3 mp -116.55 150.53 37.83 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.219 -0.66 . . . . 15.0 109.219 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -105.91 148.93 27.07 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.717 0.294 . . . . 15.0 111.18 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -80.26 123.1 36.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.336 -0.616 . . . . 15.0 109.336 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.21 136.22 24.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.104 -0.498 . . . . 15.0 110.328 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -104.73 110.29 22.57 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -92.2 111.4 22.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.429 -0.952 . . . . 15.0 108.429 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 70.99 -72.14 0.12 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 124.029 0.831 . . . . 15.0 110.763 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.98 16.96 0.12 Allowed Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.135 -0.786 . . . . 15.0 111.135 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' B' ' 59' ' ' PRO . 0.8 OUTLIER -119.95 145.16 39.08 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 110.173 -0.306 . . . . 15.0 110.173 -179.601 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 8.1 Cg_exo -71.54 121.54 7.8 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.387 2.058 . . . . 15.0 111.691 179.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -122.27 167.89 12.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.091 -0.504 . . . . 15.0 110.34 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.36 178.75 5.85 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.556 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 34.5 t -113.36 123.8 69.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.767 -0.827 . . . . 15.0 108.767 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 28.8 p -73.67 174.58 8.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.297 0.57 . . . . 15.0 111.22 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.25 -16.55 63.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.414 -0.812 . . . . 15.0 110.805 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -81.72 -55.53 4.58 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.847 -0.615 . . . . 15.0 110.429 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 m -70.45 -18.72 63.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 15.0 111.553 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.07 -43.15 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.035 -0.529 . . . . 15.0 112.199 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.67 -21.14 38.3 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.927 -0.309 . . . . 15.0 111.763 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -77.58 -41.73 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.843 0.354 . . . . 15.0 111.694 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.78 -0.628 . . . . 15.0 110.709 -178.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.541 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 20.5 ptm . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 110.07 -0.344 . . . . 15.0 110.07 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.44 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -141.03 107.18 5.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.184 0.516 . . . . 15.0 110.665 179.572 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.95 -166.54 2.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.577 -0.738 . . . . 15.0 110.277 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -46.76 141.62 5.33 Favored Pre-proline 0 C--O 1.236 0.35 0 O-C-N 123.606 0.566 . . . . 15.0 111.176 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -86.48 9.04 60.95 Favored 'Cis proline' 0 C--N 1.345 0.393 0 C-N-CA 123.676 -1.385 . . . . 15.0 113.771 1.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.29 129.91 38.22 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.176 -0.305 . . . . 15.0 110.176 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -91.42 -17.59 25.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.587 -0.279 . . . . 15.0 110.643 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.511 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 4.4 mtm180 69.88 82.98 0.17 Allowed Pre-proline 0 C--O 1.234 0.271 0 CA-C-N 116.041 -0.527 . . . . 15.0 111.873 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -75.67 161.94 36.1 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.589 2.192 . . . . 15.0 111.313 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -92.8 4.26 54.14 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.998 0.37 . . . . 15.0 111.998 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -114.76 136.37 53.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.776 0.322 . . . . 15.0 110.281 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.451 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 26.9 tp -55.77 -54.68 49.11 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 113.541 0.941 . . . . 15.0 113.541 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 12.4 Cg_endo -56.11 -35.53 95.13 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.019 1.813 . . . . 15.0 112.638 -179.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -73.37 -38.07 65.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.675 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -63.91 -34.78 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -56.51 -35.08 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.94 -0.573 . . . . 15.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -48.15 76.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.093 0.473 . . . . 15.0 111.202 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.84 -27.58 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.814 -0.63 . . . . 15.0 110.699 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.44 ' HB3' HG22 ' A' ' 21' ' ' THR . 0.3 OUTLIER -84.15 -9.29 58.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.841 -0.618 . . . . 15.0 110.207 179.234 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 62.34 40.37 11.29 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.584 -0.735 . . . . 15.0 111.619 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.44 HG22 ' HB3' ' A' ' 19' ' ' LEU . 6.1 t -146.35 -175.14 4.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.067 -0.515 . . . . 15.0 109.884 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.5 p -118.47 177.72 4.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.751 0.31 . . . . 15.0 110.486 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.0 mt -73.3 -11.05 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.442 0.639 . . . . 15.0 110.106 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -83.82 -18.77 36.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.872 -0.603 . . . . 15.0 110.314 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -142.49 71.12 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.138 0.494 . . . . 15.0 111.376 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 tt -138.64 124.46 23.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.065 0.459 . . . . 15.0 110.142 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.7 mm -111.52 110.37 31.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.974 0.416 . . . . 15.0 110.567 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.1 mp -112.53 153.79 26.94 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.399 -0.593 . . . . 15.0 109.399 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -109.32 155.53 21.06 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.826 0.346 . . . . 15.0 110.836 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.476 ' HB3' ' H ' ' A' ' 35' ' ' GLN . 43.0 t -72.45 145.39 47.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.779 -0.646 . . . . 15.0 110.75 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.89 -27.61 16.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.805 -0.634 . . . . 15.0 111.718 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.457 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 42.2 m-85 -106.83 -44.93 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.999 0.37 . . . . 15.0 111.999 -178.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.6 m -86.81 -22.92 25.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.554 0.216 . . . . 15.0 111.233 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 8.6 mttt 61.12 29.18 18.72 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.334 0.588 . . . . 15.0 110.556 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.476 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 31.2 mm-40 -91.63 153.23 19.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.57 -0.741 . . . . 15.0 110.021 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -82.14 121.23 26.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.376 -0.375 . . . . 15.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.1 140.68 33.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.25 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 42' ' ' VAL . 65.5 mt -95.93 171.76 8.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.138 0.494 . . . . 15.0 111.442 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -58.86 -22.39 58.94 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.364 -0.834 . . . . 15.0 111.282 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -65.13 -52.52 54.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.545 . . . . 15.0 111.533 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -79.35 -27.0 41.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.488 -0.324 . . . . 15.0 111.588 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 38' ' ' LEU . 39.7 t -58.98 -39.93 79.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 15.0 110.817 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -69.65 -36.87 76.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.872 0.368 . . . . 15.0 110.71 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.88 -30.63 71.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.319 0.581 . . . . 15.0 109.944 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -64.56 -39.76 94.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.17 -0.923 . . . . 15.0 110.492 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.57 -20.77 29.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 15.0 111.262 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -68.06 -33.73 75.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.505 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -111.85 172.09 7.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.63 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -89.88 79.71 6.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.484 . . . . 15.0 111.19 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 67' ' ' LEU . 5.4 mp -104.69 166.84 10.12 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.019 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.3 m -123.5 147.28 47.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.037 -0.529 . . . . 15.0 110.312 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.405 HD11 ' HA ' ' A' ' 12' ' ' LEU . 56.3 mt -83.52 130.22 36.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.478 -0.328 . . . . 15.0 110.223 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.81 134.56 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.905 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.511 ' CE1' ' HB3' ' A' ' 8' ' ' ARG . 23.7 m-85 -115.9 109.6 17.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.187 0.518 . . . . 15.0 111.805 -178.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HD2' ' HB2' ' A' ' 56' ' ' ASP . 6.8 tmm_? -101.58 121.06 41.3 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.304 -0.998 . . . . 15.0 108.304 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 0.7 OUTLIER 71.7 -69.01 0.2 Allowed 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.987 0.804 . . . . 15.0 110.499 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.89 29.0 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.719 -0.673 . . . . 15.0 111.5 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.541 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 76.6 m-20 -124.92 146.22 52.62 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 110.25 -0.278 . . . . 15.0 110.25 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.33 118.49 4.94 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.622 2.215 . . . . 15.0 112.477 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -122.11 146.93 46.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.382 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.461 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -108.81 170.08 8.27 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.039 -0.528 . . . . 15.0 110.875 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.3 t -100.15 113.88 37.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.589 -0.732 . . . . 15.0 109.603 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 27.0 p -77.34 179.72 6.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.239 0.542 . . . . 15.0 111.709 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -63.7 -25.18 68.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.451 -0.795 . . . . 15.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -82.79 -54.71 4.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.524 . . . . 15.0 111.308 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 54.4 m -71.26 -17.44 62.49 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.64 0.607 . . . . 15.0 112.64 -178.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -51.1 -45.49 61.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.971 0.415 . . . . 15.0 111.734 179.576 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -79.77 -18.69 50.46 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.764 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -78.37 -50.39 11.83 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.257 0.466 . . . . 15.0 112.257 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.346 -0.835 . . . . 15.0 111.1 -178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.688 0.28 . . . . 15.0 110.491 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -133.3 141.9 48.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.164 -0.471 . . . . 15.0 110.217 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -84.31 174.03 10.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.438 0.637 . . . . 15.0 112.053 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -84.57 145.76 45.47 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 114.932 -1.031 . . . . 15.0 109.681 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -88.34 -82.76 0.0 OUTLIER 'Cis proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.937 -1.276 . . . . 15.0 112.145 0.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -100.87 78.16 1.92 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.97 0.414 . . . . 15.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -88.78 14.52 10.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 122.28 1.038 . . . . 15.0 108.474 178.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.581 ' HG3' ' CZ ' ' B' ' 54' ' ' TYR . 0.0 OUTLIER -137.75 151.8 71.31 Favored Pre-proline 0 N--CA 1.449 -0.522 0 CA-C-N 114.628 -1.169 . . . . 15.0 110.169 -178.779 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.463 ' HD3' ' HG3' ' B' ' 18' ' ' GLU . 66.1 Cg_endo -90.8 160.38 4.12 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.963 2.442 . . . . 15.0 112.548 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -87.94 -0.85 57.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.394 -0.366 . . . . 15.0 111.43 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.457 ' HD2' ' OE1' ' B' ' 14' ' ' GLN . 90.2 mttt -102.46 130.03 49.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.416 -0.357 . . . . 15.0 110.332 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.644 ' HA ' HD11 ' B' ' 52' ' ' ILE . 39.4 tp -54.17 -54.44 47.59 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 113.059 0.763 . . . . 15.0 113.059 -179.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 13.0 Cg_endo -56.02 -36.0 95.42 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.063 1.842 . . . . 15.0 112.846 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.457 ' OE1' ' HD2' ' B' ' 11' ' ' LYS . 20.2 mt-30 -73.92 -34.9 64.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.369 -0.378 . . . . 15.0 110.491 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.793 HD22 HD13 ' B' ' 52' ' ' ILE . 40.8 tp -63.0 -39.35 94.49 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 116.418 -0.355 . . . . 15.0 110.407 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.8 m -58.45 -43.5 88.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 15.0 109.844 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 14.7 m -64.24 -44.14 92.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.792 -0.64 . . . . 15.0 111.045 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.463 ' HG3' ' HD3' ' B' ' 9' ' ' PRO . 81.3 mm-40 -65.1 -35.7 81.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.55 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -81.42 -2.14 48.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.677 -0.692 . . . . 15.0 110.897 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 57.83 45.86 17.87 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 121.222 0.534 . . . . 15.0 110.922 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 6.4 t -148.08 179.48 7.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.724 -0.671 . . . . 15.0 110.009 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 71.5 p -98.76 176.1 5.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.58 0.228 . . . . 15.0 110.47 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.408 ' H ' HG13 ' B' ' 23' ' ' ILE . 6.2 mt -77.27 -12.76 14.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.515 0.674 . . . . 15.0 110.191 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -95.12 -23.54 17.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.802 -0.635 . . . . 15.0 110.552 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -106.4 4.73 28.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.173 -0.467 . . . . 15.0 111.701 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.3 tt -80.79 124.39 38.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.216 0.531 . . . . 15.0 110.19 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 mm -99.75 106.77 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.076 0.465 . . . . 15.0 111.002 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.509 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.0 OUTLIER -128.1 143.74 51.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.637 -0.71 . . . . 15.0 109.542 178.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' B' ' 36' ' ' GLN . 4.5 pt-20 -116.97 166.95 11.59 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.703 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 40.7 t -67.79 143.81 55.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.183 0.516 . . . . 15.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.51 -25.58 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.333 -0.848 . . . . 15.0 111.754 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -117.73 -47.08 2.63 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.418 0.525 . . . . 15.0 112.418 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 18.7 m -68.1 -24.49 65.04 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.525 0.203 . . . . 15.0 110.976 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 tptp 64.22 15.95 9.73 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.905 -0.589 . . . . 15.0 111.353 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.23 139.66 35.59 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.552 -0.536 . . . . 15.0 109.552 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.415 ' HA ' ' HA ' ' B' ' 29' ' ' GLU . 18.4 pt20 -65.72 139.33 58.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.932 0.396 . . . . 15.0 110.907 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -84.7 142.9 29.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.895 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.447 ' O ' HG23 ' B' ' 42' ' ' VAL . 51.0 mt -82.71 149.1 27.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.961 -0.755 . . . . 15.0 108.961 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.43 ' HB3' ' HE ' ' B' ' 39' ' ' ARG . 0.0 OUTLIER -52.59 -28.6 21.78 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.376 0.51 . . . . 15.0 112.376 -178.549 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -61.48 -46.22 90.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.621 0.248 . . . . 15.0 110.624 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -74.93 -30.13 61.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.931 0.396 . . . . 15.0 110.089 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 38' ' ' LEU . 60.7 t -64.16 -34.89 71.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.046 -0.524 . . . . 15.0 109.64 178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -62.26 -44.9 95.5 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.024 178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -70.44 -27.71 64.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.521 . . . . 15.0 110.488 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -63.33 -35.62 81.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.762 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.95 -20.09 29.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.295 0.569 . . . . 15.0 110.298 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -75.18 -40.09 59.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.502 -0.772 . . . . 15.0 109.619 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -95.58 162.21 13.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.593 -0.731 . . . . 15.0 109.845 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -84.71 95.56 8.96 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.496 -0.557 . . . . 15.0 109.496 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.7 mt -132.95 142.59 48.96 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.409 -0.36 . . . . 15.0 110.591 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 3.5 m -100.71 155.51 17.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.793 HD13 HD22 ' B' ' 15' ' ' LEU . 62.5 mt -80.61 132.72 31.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.792 0.33 . . . . 15.0 110.687 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 t -90.99 136.29 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.342 -0.614 . . . . 15.0 109.342 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.581 ' CZ ' ' HG3' ' B' ' 8' ' ' ARG . 50.0 m-85 -120.9 110.2 16.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.085 0.469 . . . . 15.0 111.96 -178.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' B' ' 56' ' ' ASP . 0.7 OUTLIER -103.37 115.88 31.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.092 -1.077 . . . . 15.0 108.092 178.035 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' B' ' 55' ' ' ARG . 10.1 t70 73.4 -52.92 0.7 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.823 0.702 . . . . 15.0 110.613 -178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 174.15 -26.47 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 121.173 -0.537 . . . . 15.0 112.379 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -71.86 143.16 86.42 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.55 0.214 . . . . 15.0 110.594 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -74.53 122.43 7.42 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.706 2.271 . . . . 15.0 112.473 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -123.01 149.45 44.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.083 0.468 . . . . 15.0 110.723 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.509 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -115.99 -176.24 2.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.765 -0.652 . . . . 15.0 110.201 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 t -118.77 119.8 62.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.556 -0.535 . . . . 15.0 109.556 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 2.1 p -80.48 170.81 15.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.468 0.175 . . . . 15.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -53.14 -36.09 60.44 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.981 -0.554 . . . . 15.0 111.429 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.583 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 9.1 mtpt -64.57 -54.55 30.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.248 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 17.3 m -73.03 -27.07 61.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.787 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -59.06 -33.89 71.31 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.456 0.539 . . . . 15.0 112.456 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 61.0 pttt -78.66 -22.87 46.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.764 0.316 . . . . 15.0 110.597 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -77.66 -51.42 10.64 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.196 0.443 . . . . 15.0 112.196 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.398 -0.811 . . . . 15.0 111.748 -177.82 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptm . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.879 0.371 . . . . 15.0 110.276 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.527 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -137.76 124.47 21.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.106 -0.497 . . . . 15.0 109.87 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.423 HE21 ' HB2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -136.48 -160.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.692 -0.484 . . . . 15.0 109.692 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.419 ' OD1' ' HA ' ' A' ' 5' ' ' PRO . 9.1 t70 -46.6 143.56 3.99 Favored Pre-proline 0 N--CA 1.471 0.577 0 O-C-N 123.794 0.684 . . . . 15.0 111.313 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HA ' ' OD1' ' A' ' 4' ' ' ASP . 74.0 Cg_endo -76.79 -3.41 26.54 Favored 'Cis proline' 0 C--N 1.35 0.607 0 C-N-CA 123.691 -1.379 . . . . 15.0 113.7 1.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -73.31 119.07 17.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.94 0.4 . . . . 15.0 109.948 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -89.94 -15.52 31.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.434 -0.348 . . . . 15.0 110.159 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.527 ' HD3' ' O ' ' A' ' 2' ' ' PHE . 9.0 mtm180 68.32 86.92 0.12 Allowed Pre-proline 0 N--CA 1.462 0.156 0 O-C-N 123.886 0.741 . . . . 15.0 110.579 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.05 165.37 31.52 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.621 2.214 . . . . 15.0 112.05 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -95.41 21.52 8.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.093 0.473 . . . . 15.0 110.775 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -125.64 125.11 42.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.584 . . . . 15.0 110.055 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 49.5 tp -52.67 -53.18 56.92 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 113.393 0.886 . . . . 15.0 113.393 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 12.3 Cg_endo -55.89 -33.93 90.21 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 122.326 2.017 . . . . 15.0 113.149 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -84.67 -33.49 23.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.901 0.382 . . . . 15.0 110.65 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.3 tp -62.0 -38.31 88.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.972 -0.558 . . . . 15.0 110.225 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.0 m -59.71 -36.34 76.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.498 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -65.86 -40.67 91.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.674 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.99 -37.0 85.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 15.0 110.577 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.57 0.72 55.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 15.0 111.557 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 58.76 45.51 15.51 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.308 0.38 . . . . 15.0 111.281 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -152.05 -170.18 3.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.723 -0.217 . . . . 15.0 110.513 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.7 p -122.94 177.62 5.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.954 0.407 . . . . 15.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.406 ' HA ' HG22 ' A' ' 26' ' ' ILE . 26.4 mt -67.87 -19.1 24.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.957 -0.565 . . . . 15.0 111.078 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -83.66 -3.26 57.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.139 -0.482 . . . . 15.0 111.421 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -132.09 -27.03 1.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.235 0.457 . . . . 15.0 112.235 -178.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.406 HG22 ' HA ' ' A' ' 23' ' ' ILE . 20.2 tt -55.79 134.02 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 121.301 0.572 . . . . 15.0 111.482 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.7 mm -102.73 115.98 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 15.0 110.77 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.563 HD23 ' HB2' ' A' ' 61' ' ' ALA . 1.1 mp -124.37 139.08 54.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.881 -0.6 . . . . 15.0 109.79 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 4.2 pt-20 -122.87 164.16 18.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.881 -0.145 . . . . 15.0 110.719 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.8 t -67.97 137.3 55.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.126 0.489 . . . . 15.0 110.817 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.495 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 10.0 p -66.93 -26.99 38.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.814 -0.63 . . . . 15.0 111.554 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -105.61 -54.64 2.45 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.048 0.388 . . . . 15.0 112.048 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.0 m -74.59 -22.27 59.06 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.014 0.376 . . . . 15.0 112.014 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 mptt 63.21 25.5 14.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.23 0.538 . . . . 15.0 110.903 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -90.0 134.05 34.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.937 -0.574 . . . . 15.0 109.499 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -68.92 120.53 14.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.902 0.382 . . . . 15.0 110.533 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mp -85.53 122.48 29.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.017 -0.538 . . . . 15.0 109.944 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.2 mt -64.58 147.66 52.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.411 -0.589 . . . . 15.0 109.411 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -53.71 -29.86 41.1 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.759 0.314 . . . . 15.0 111.401 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.418 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 48.9 ttp180 -60.68 -40.82 93.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.277 -0.42 . . . . 15.0 110.679 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.85 -33.01 65.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.927 -0.578 . . . . 15.0 109.775 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.48 -33.22 60.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.528 -0.76 . . . . 15.0 110.375 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 20.0 m-85 -61.9 -31.68 71.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 15.0 110.343 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -30.96 60.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.333 0.587 . . . . 15.0 109.594 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -65.97 -38.52 88.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.171 -0.922 . . . . 15.0 110.082 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.68 -16.67 50.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.015 -0.538 . . . . 15.0 111.763 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -77.18 -22.59 52.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.357 0.599 . . . . 15.0 109.936 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -116.53 171.49 7.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.017 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -93.48 95.53 9.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.623 -0.51 . . . . 15.0 109.623 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -122.54 154.93 37.23 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.632 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.16 148.24 22.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.725 -0.67 . . . . 15.0 111.061 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.2 mt -95.3 123.38 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.02 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.7 137.27 22.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.794 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -116.09 124.5 50.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.1 107.16 18.99 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.155 -0.683 . . . . 15.0 109.155 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t70 68.96 -74.07 0.08 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.043 0.839 . . . . 15.0 110.898 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -157.35 12.55 0.27 Allowed Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.796 -0.522 . . . . 15.0 111.796 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -114.29 137.62 22.63 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 110.089 -0.337 . . . . 15.0 110.089 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.44 130.06 21.53 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.877 2.384 . . . . 15.0 111.974 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.495 ' CD2' ' HA ' ' A' ' 31' ' ' VAL . 9.2 m-85 -130.3 166.5 20.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.965 0.412 . . . . 15.0 110.839 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.563 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -121.66 -176.42 3.31 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.927 -0.579 . . . . 15.0 110.948 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.6 t -123.44 122.44 65.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.694 -0.685 . . . . 15.0 109.533 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 25.6 p -74.03 173.18 10.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.668 0.271 . . . . 15.0 110.761 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.26 -23.19 67.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.195 0.521 . . . . 15.0 110.613 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -75.95 -56.71 4.41 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.828 -0.624 . . . . 15.0 110.496 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 64.0 m -71.97 -19.23 61.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.546 -0.752 . . . . 15.0 111.627 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.7 OUTLIER -57.72 -46.85 83.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.171 0.51 . . . . 15.0 111.479 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -83.08 -25.05 32.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.231 0.538 . . . . 15.0 110.582 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -50.48 20.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.63 -0.714 . . . . 15.0 112.298 -178.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 . . . . . 0 C--O 1.244 0.787 0 CA-C-O 118.505 -0.759 . . . . 15.0 110.665 -179.024 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.034 -0.358 . . . . 15.0 110.034 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.446 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 0.0 OUTLIER -143.03 111.66 6.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.201 0.524 . . . . 15.0 110.977 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.453 ' HA ' ' NH1' ' B' ' 8' ' ' ARG . 4.5 pm0 -137.74 -166.74 2.01 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.31 151.89 45.86 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 109.99 -0.374 . . . . 15.0 109.99 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -87.01 24.49 17.56 Favored 'Cis proline' 0 CA--C 1.533 0.427 0 C-N-CA 124.271 -1.137 . . . . 15.0 114.09 0.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -72.81 141.13 48.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.369 -0.604 . . . . 15.0 109.369 178.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.57 -36.71 71.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.718 0.294 . . . . 15.0 110.839 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.453 ' NH1' ' HA ' ' B' ' 3' ' ' GLN . 62.2 mtm180 61.78 71.77 0.72 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.541 -0.754 . . . . 15.0 111.111 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.2 170.17 13.79 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.408 2.072 . . . . 15.0 111.933 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.89 2.78 38.49 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.962 -0.295 . . . . 15.0 111.617 -179.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -116.76 132.14 56.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.912 -0.403 . . . . 15.0 109.912 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 37.8 tp -52.07 -51.15 74.08 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 113.063 0.764 . . . . 15.0 113.063 -178.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 11.4 Cg_endo -55.89 -34.15 90.82 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.054 1.836 . . . . 15.0 112.637 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -77.76 -33.32 52.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.892 0.377 . . . . 15.0 110.351 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.422 HD22 HD13 ' B' ' 52' ' ' ILE . 48.8 tp -65.85 -34.54 78.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.204 0.526 . . . . 15.0 109.679 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.1 m -61.13 -37.65 83.57 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.614 -0.721 . . . . 15.0 110.081 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -40.27 93.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.324 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.66 -33.8 76.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.899 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mt -86.53 -3.9 59.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.603 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 60.92 41.62 14.05 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.554 -0.748 . . . . 15.0 111.216 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -144.1 -175.24 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.94 -0.573 . . . . 15.0 109.843 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p -110.13 172.13 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.953 0.406 . . . . 15.0 111.343 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.513 ' HA ' HG22 ' B' ' 26' ' ' ILE . 5.8 mt -71.57 -7.18 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.441 0.639 . . . . 15.0 110.447 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -93.5 -6.56 46.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.531 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -125.57 -25.5 3.7 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.02 0.378 . . . . 15.0 112.02 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.513 HG22 ' HA ' ' B' ' 23' ' ' ILE . 21.2 tt -61.5 125.26 17.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.367 0.603 . . . . 15.0 111.281 -179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 47.7 mm -114.47 114.01 45.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.939 -0.573 . . . . 15.0 109.98 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' B' ' 61' ' ' ALA . 1.2 mp -111.8 160.91 16.89 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.164 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.439 ' HG2' HE21 ' B' ' 36' ' ' GLN . 45.4 mt-10 -107.71 151.99 24.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.399 -0.364 . . . . 15.0 110.627 -179.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 41.7 t -69.31 137.97 53.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.305 -0.407 . . . . 15.0 110.413 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' B' ' 60' ' ' TYR . 12.3 p -68.87 -25.0 29.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.701 -0.681 . . . . 15.0 111.784 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -110.81 -55.36 2.49 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.801 -0.359 . . . . 15.0 111.867 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 4.3 m -68.53 -21.67 64.55 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.619 0.229 . . . . 15.0 111.619 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm 59.55 30.03 19.65 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.018 -0.537 . . . . 15.0 111.178 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -105.46 169.2 8.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.515 -0.311 . . . . 15.0 110.521 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.439 HE21 ' HG2' ' B' ' 29' ' ' GLU . 13.8 mm-40 -77.62 123.51 26.73 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.885 -0.783 . . . . 15.0 108.885 178.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.64 132.83 49.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.868 0.366 . . . . 15.0 111.028 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 42' ' ' VAL . 57.1 mt -76.23 164.66 25.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.886 -0.597 . . . . 15.0 110.336 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -54.45 -44.95 72.97 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.43 -0.35 . . . . 15.0 111.336 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -65.5 -37.04 85.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.58 -0.282 . . . . 15.0 111.18 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.464 ' OE2' ' HB2' ' B' ' 63' ' ' CYS . 53.7 mt-10 -66.51 -40.49 89.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.746 0.307 . . . . 15.0 110.317 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 38' ' ' LEU . 58.7 t -65.89 -42.7 92.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.12 0.486 . . . . 15.0 109.847 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -66.05 -35.27 80.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.949 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.32 -35.86 82.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.093 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -67.25 -33.43 75.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.054 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.65 -15.99 55.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 15.0 111.118 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -93.48 -39.83 10.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.002 -0.544 . . . . 15.0 110.74 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -93.95 133.95 36.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.218 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.23 95.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.439 0.638 . . . . 15.0 110.93 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.5 mt -131.53 179.21 6.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.691 -0.686 . . . . 15.0 110.274 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 9.3 p -127.05 151.67 48.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.169 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.447 HD11 ' HA ' ' B' ' 12' ' ' LEU . 77.2 mt -80.29 122.45 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.951 0.405 . . . . 15.0 110.603 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.69 114.32 31.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.766 -0.652 . . . . 15.0 110.608 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -93.48 111.01 22.58 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.146 0.498 . . . . 15.0 110.495 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -98.35 114.05 26.23 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.597 -0.89 . . . . 15.0 108.597 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t70 73.72 -51.41 0.7 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 124.05 0.844 . . . . 15.0 111.616 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.51 8.77 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.747 -0.74 . . . . 15.0 112.529 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.406 ' HA ' ' HD3' ' B' ' 59' ' ' PRO . 1.0 OUTLIER -106.46 140.47 21.35 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.862 -0.421 . . . . 15.0 109.862 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 58' ' ' ASN . 22.3 Cg_exo -64.28 107.15 0.77 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.372 2.048 . . . . 15.0 111.677 179.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . 0.402 ' HB3' ' HB ' ' B' ' 31' ' ' VAL . 51.1 m-85 -117.31 147.27 42.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.878 -0.601 . . . . 15.0 110.309 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.517 ' HB2' HD23 ' B' ' 28' ' ' LEU . . . -127.15 168.95 13.97 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.117 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 t -97.78 113.12 31.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.575 -0.898 . . . . 15.0 108.575 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . 0.464 ' HB2' ' OE2' ' B' ' 41' ' ' GLU . 29.5 p -73.15 173.06 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.962 0.41 . . . . 15.0 111.574 -178.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.01 -21.77 65.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.75 -0.659 . . . . 15.0 110.634 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.532 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 0.7 OUTLIER -82.68 -50.47 8.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.973 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 66.0 m -69.99 -26.39 64.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.733 0.301 . . . . 15.0 111.204 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.59 -43.86 89.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 15.0 111.769 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -79.49 -13.48 59.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.637 0.256 . . . . 15.0 111.215 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.05 -26.85 54.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 15.0 111.228 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.544 -0.741 . . . . 15.0 111.222 -179.054 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptm . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.444 -0.206 . . . . 15.0 110.444 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.477 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -155.18 113.21 3.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.891 0.377 . . . . 15.0 110.239 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.83 -162.1 1.16 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.976 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.88 154.85 12.86 Favored Pre-proline 0 N--CA 1.465 0.301 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.456 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.87 4.52 19.74 Favored 'Cis proline' 0 C--N 1.347 0.49 0 C-N-CA 123.653 -1.394 . . . . 15.0 113.277 0.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -79.61 108.02 12.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.378 -0.374 . . . . 15.0 110.263 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -75.22 -13.69 60.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.361 -0.381 . . . . 15.0 110.373 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.477 ' HD3' ' O ' ' A' ' 2' ' ' PHE . 5.8 mtm180 67.89 92.37 0.06 OUTLIER Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 115.739 -0.664 . . . . 15.0 111.086 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -63.93 158.83 45.16 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.221 1.947 . . . . 15.0 111.254 178.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -93.38 18.66 9.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.038 0.447 . . . . 15.0 111.204 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -128.38 129.11 45.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.914 -0.585 . . . . 15.0 109.757 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 37.2 tp -50.53 -52.78 52.5 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 113.708 1.003 . . . . 15.0 113.708 -178.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 9.3 Cg_endo -52.85 -35.88 71.93 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 122.467 2.111 . . . . 15.0 113.761 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -85.47 -24.97 27.17 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.547 0.203 . . . . 15.0 111.547 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.9 tp -72.3 -34.55 68.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 15.0 110.698 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.553 ' SG ' HG12 ' A' ' 23' ' ' ILE . 58.9 m -59.48 -40.6 87.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.562 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -31.54 72.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.039 -0.528 . . . . 15.0 111.18 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.71 -37.94 89.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.211 0.529 . . . . 15.0 110.006 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.2 mt -84.77 -2.81 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.44 -0.8 . . . . 15.0 110.295 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 61.4 32.3 19.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.525 -0.761 . . . . 15.0 111.228 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -130.91 178.66 6.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.092 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.4 p -101.08 168.14 9.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.031 0.444 . . . . 15.0 111.448 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.553 HG12 ' SG ' ' A' ' 16' ' ' CYS . 11.5 mt -69.01 -11.1 14.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.629 0.728 . . . . 15.0 110.352 179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -91.12 -0.51 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.546 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -125.74 -32.1 2.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.247 0.462 . . . . 15.0 112.247 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.495 HG22 ' HA ' ' A' ' 23' ' ' ILE . 13.9 tt -61.38 124.03 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.257 0.551 . . . . 15.0 111.431 -179.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.1 mm -113.47 108.99 26.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.991 -0.55 . . . . 15.0 110.393 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tp -109.96 156.06 20.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.247 -0.433 . . . . 15.0 109.973 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 2.8 pt-20 -113.72 162.47 16.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.668 -0.242 . . . . 15.0 110.523 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.526 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 44.3 t -67.39 140.54 57.19 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.254 0.549 . . . . 15.0 111.176 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.8 p -74.21 -18.44 17.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.376 -0.829 . . . . 15.0 111.328 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -101.83 -65.04 1.01 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.223 0.453 . . . . 15.0 112.223 -178.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.74 -2.95 58.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.599 0.592 . . . . 15.0 112.599 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 8.9 mptt 60.59 25.62 15.32 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.717 0.407 . . . . 15.0 111.972 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.452 ' H ' ' HB3' ' A' ' 30' ' ' CYS . 3.6 mm-40 -77.32 133.31 38.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.498 -0.319 . . . . 15.0 110.254 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -70.88 119.02 14.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.751 0.31 . . . . 15.0 110.283 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mp -79.9 132.8 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.112 -0.495 . . . . 15.0 110.796 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.563 HD23 ' H ' ' A' ' 40' ' ' ARG . 0.4 OUTLIER -76.49 155.94 33.4 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.066 -0.716 . . . . 15.0 109.066 178.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -50.55 -32.1 17.54 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.926 0.393 . . . . 15.0 111.412 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.563 ' H ' HD23 ' A' ' 38' ' ' LEU . 54.2 ttp180 -61.24 -45.0 96.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.67 -0.695 . . . . 15.0 111.259 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.98 -27.51 60.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.031 -0.531 . . . . 15.0 110.439 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 38' ' ' LEU . 98.2 t -64.89 -36.01 76.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.82 -0.627 . . . . 15.0 110.044 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -67.91 -35.02 77.73 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.047 -0.524 . . . . 15.0 110.06 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.65 -30.02 69.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.725 -0.67 . . . . 15.0 110.112 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -71.0 -34.06 71.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.139 -0.937 . . . . 15.0 110.61 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.43 ' HB2' HD23 ' A' ' 12' ' ' LEU . . . -84.43 -17.98 37.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.436 . . . . 15.0 111.722 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -91.74 16.7 10.19 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.916 0.389 . . . . 15.0 111.292 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.91 154.3 38.09 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.475 -0.565 . . . . 15.0 109.475 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -78.14 78.02 4.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.436 0.636 . . . . 15.0 110.505 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.4 mt -116.02 160.43 20.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.566 -0.743 . . . . 15.0 109.731 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.29 155.72 31.29 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.078 0.466 . . . . 15.0 110.929 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.46 HD11 ' HA ' ' A' ' 12' ' ' LEU . 50.6 mt -87.45 126.86 41.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.529 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.9 t -93.4 119.21 40.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.314 -0.624 . . . . 15.0 109.314 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -93.65 111.97 23.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.23 0.538 . . . . 15.0 111.461 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.89 104.57 12.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.504 -0.771 . . . . 15.0 109.051 179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 t70 69.13 -70.46 0.14 Allowed 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.99 0.806 . . . . 15.0 111.053 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -162.45 33.73 0.33 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.787 -0.721 . . . . 15.0 112.576 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -138.23 145.66 48.3 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 110.365 -0.235 . . . . 15.0 110.365 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -69.57 118.97 6.0 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.75 2.3 . . . . 15.0 112.832 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.426 ' CE2' ' HG3' ' A' ' 29' ' ' GLU . 37.3 m-85 -131.93 147.11 52.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.166 -0.47 . . . . 15.0 110.027 179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . -112.02 -176.46 2.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.761 0.315 . . . . 15.0 110.536 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 t -113.56 120.16 62.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.228 -0.656 . . . . 15.0 109.228 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 25.9 p -72.33 171.52 12.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.073 0.464 . . . . 15.0 111.095 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -63.51 -19.24 64.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.685 -0.688 . . . . 15.0 110.511 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -78.55 -58.92 3.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.859 -0.61 . . . . 15.0 111.033 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 16.6 m -72.72 -22.75 60.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.608 0.596 . . . . 15.0 112.608 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.3 -47.87 55.39 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.034 0.383 . . . . 15.0 112.034 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -77.67 -24.56 49.31 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.25 0.463 . . . . 15.0 112.25 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -76.19 -49.85 16.12 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.811 0.671 . . . . 15.0 112.811 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 . . . . . 0 C--O 1.254 1.325 0 CA-C-O 118.671 -0.68 . . . . 15.0 111.969 -177.481 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tmm? . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -87.58 138.33 31.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.869 0.366 . . . . 15.0 111.186 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -69.81 167.32 17.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.361 -0.836 . . . . 15.0 112.117 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . 0.629 ' OD2' ' HA ' ' B' ' 5' ' ' PRO . 0.1 OUTLIER -89.32 169.26 13.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.135 -0.939 . . . . 15.0 109.77 179.607 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.629 ' HA ' ' OD2' ' B' ' 4' ' ' ASP . 6.1 Cg_endo -88.51 -82.32 0.0 OUTLIER 'Cis proline' 0 N--CA 1.459 -0.515 0 C-N-CA 124.414 -1.077 . . . . 15.0 112.814 -0.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -111.5 23.89 13.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.243 0.544 . . . . 15.0 110.342 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.59 53.76 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.82 -0.627 . . . . 15.0 110.191 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.493 ' HB3' ' CE2' ' B' ' 54' ' ' TYR . 36.5 mtt-85 -121.1 98.85 46.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.801 -0.636 . . . . 15.0 110.387 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.44 153.82 68.36 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.114 2.543 . . . . 15.0 113.191 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 49.2 mmt-85 -102.49 1.48 35.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.766 -0.652 . . . . 15.0 111.162 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -106.82 128.85 54.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.521 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.488 ' HA ' HD11 ' B' ' 52' ' ' ILE . 61.1 tp -54.01 -53.21 60.83 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.556 0.576 . . . . 15.0 112.556 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.9 Cg_endo -54.87 -42.71 66.3 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 122.005 1.803 . . . . 15.0 112.56 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.14 -36.45 72.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.684 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.422 HD23 HD11 ' B' ' 26' ' ' ILE . 30.0 tp -62.25 -41.28 98.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.488 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 54.3 m -62.52 -35.09 78.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.033 -0.53 . . . . 15.0 110.537 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -67.3 -37.18 82.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.919 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -69.6 -32.45 71.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.965 0.412 . . . . 15.0 110.753 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 67.0 mt -84.68 -0.16 52.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.575 . . . . 15.0 110.712 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 59.68 38.93 21.66 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.758 -0.656 . . . . 15.0 111.366 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 12.6 t -142.38 -173.1 3.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.307 -0.406 . . . . 15.0 110.297 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.0 p -109.95 169.76 8.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.937 0.398 . . . . 15.0 110.754 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.1 mt -66.32 -15.7 19.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.537 0.684 . . . . 15.0 110.444 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.442 ' HA ' ' HD2' ' B' ' 39' ' ' ARG . 14.8 m170 -88.8 -4.84 58.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.754 -0.657 . . . . 15.0 111.59 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -125.42 -31.57 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.094 0.405 . . . . 15.0 112.094 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.422 HD11 HD23 ' B' ' 15' ' ' LEU . 15.8 tt -47.2 130.26 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.815 0.672 . . . . 15.0 112.815 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mm -85.07 125.52 40.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.668 -0.696 . . . . 15.0 109.441 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' B' ' 28' ' ' LEU . 3.5 tp -136.78 135.95 38.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.71 0.29 . . . . 15.0 110.641 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.64 161.76 17.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.89 -0.595 . . . . 15.0 109.939 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . 0.545 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 42.4 t -78.23 143.75 36.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.73 0.3 . . . . 15.0 110.257 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.2 p -80.31 -22.5 11.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.26 -0.427 . . . . 15.0 111.291 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -105.69 -46.81 4.06 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.945 -0.302 . . . . 15.0 111.408 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . 0.41 ' SG ' ' NZ ' ' B' ' 65' ' ' LYS . 11.4 m -83.11 -23.19 33.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.486 -0.324 . . . . 15.0 110.78 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.545 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 0.1 OUTLIER 61.2 24.5 14.6 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.62 -0.718 . . . . 15.0 112.132 179.43 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -105.39 168.67 8.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 15.0 109.869 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -70.34 131.61 44.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.671 0.272 . . . . 15.0 110.613 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.79 136.95 36.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.638 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.474 ' O ' HG23 ' B' ' 42' ' ' VAL . 61.4 mt -67.49 143.87 55.97 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.423 -0.584 . . . . 15.0 109.423 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.442 ' HD2' ' HA ' ' B' ' 24' ' ' HIS . 15.7 tpp180 -56.15 -36.41 68.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.61 -0.268 . . . . 15.0 111.164 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.438 ' HD3' ' CG ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -64.36 -38.03 89.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.843 179.545 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.89 -33.5 73.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.114 0.483 . . . . 15.0 110.104 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 38' ' ' LEU . 35.4 t -62.66 -34.33 64.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.953 -0.567 . . . . 15.0 109.622 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.64 -41.86 99.27 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 115.794 -0.639 . . . . 15.0 110.033 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.49 -39.59 88.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 15.0 110.045 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.12 -33.32 74.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.253 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.23 -15.58 43.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.935 -0.575 . . . . 15.0 110.912 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -84.83 -55.67 3.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.202 -0.453 . . . . 15.0 109.964 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -84.89 130.79 34.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.55 -0.537 . . . . 15.0 109.55 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -68.07 94.64 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.185 0.517 . . . . 15.0 111.372 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 43.4 mt -118.07 -173.39 2.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.604 -0.725 . . . . 15.0 110.171 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 5.1 m -127.37 144.45 51.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.453 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.488 HD11 ' HA ' ' B' ' 12' ' ' LEU . 51.5 mt -82.03 127.87 39.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.956 -0.566 . . . . 15.0 110.569 179.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.6 t -93.29 121.64 44.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.523 -0.547 . . . . 15.0 109.523 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' B' ' 8' ' ' ARG . 6.9 m-85 -93.68 125.88 38.54 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.096 0.474 . . . . 15.0 111.466 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' B' ' 56' ' ' ASP . 0.0 OUTLIER -104.55 105.31 15.36 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.446 -0.797 . . . . 15.0 109.282 179.364 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' B' ' 55' ' ' ARG . 1.8 m-20 74.59 -44.43 0.55 Allowed 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.881 0.738 . . . . 15.0 111.599 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.01 -10.48 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.932 -0.576 . . . . 15.0 111.874 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -91.91 134.04 29.55 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 110.059 -0.349 . . . . 15.0 110.059 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -67.15 104.06 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.865 2.376 . . . . 15.0 112.956 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . 0.487 ' O ' HG23 ' B' ' 52' ' ' ILE . 7.2 m-30 -113.47 160.85 18.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.172 -0.467 . . . . 15.0 109.827 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -127.63 -163.8 1.3 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.941 0.401 . . . . 15.0 110.844 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . 0.413 HG13 ' HB2' ' B' ' 66' ' ' CYS . 11.4 t -121.4 124.88 72.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.927 -0.579 . . . . 15.0 110.001 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 27.4 p -80.77 173.11 12.93 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.11 -0.33 . . . . 15.0 110.11 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.2 -36.64 42.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.029 -0.532 . . . . 15.0 112.348 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.41 ' NZ ' ' SG ' ' B' ' 33' ' ' CYS . 4.8 mttp -60.99 -60.74 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.939 0.348 . . . . 15.0 111.939 -178.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . 0.413 ' HB2' HG13 ' B' ' 62' ' ' VAL . 0.0 OUTLIER -74.49 -23.23 58.82 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.994 0.368 . . . . 15.0 111.994 -178.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.14 -47.94 74.37 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.16 0.43 . . . . 15.0 112.16 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -79.37 -29.55 42.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.011 0.374 . . . . 15.0 112.011 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -77.09 -46.88 22.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 15.0 111.88 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.795 -0.621 . . . . 15.0 110.705 -178.519 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ptm . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 110.137 -0.32 . . . . 15.0 110.137 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -157.68 109.91 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.114 0.483 . . . . 15.0 109.934 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.406 ' HB2' ' H ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -144.46 -159.07 0.95 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.517 -0.765 . . . . 15.0 109.928 -179.749 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.406 ' H ' ' HB2' ' A' ' 3' ' ' GLN . 16.3 t70 -42.76 140.0 1.93 Allowed Pre-proline 0 N--CA 1.469 0.479 0 O-C-N 123.885 0.741 . . . . 15.0 111.861 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -81.2 -6.14 44.88 Favored 'Cis proline' 0 C--N 1.348 0.528 0 C-N-CA 124.082 -1.216 . . . . 15.0 113.296 0.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 2' ' ' PHE . 2.0 mp0 -62.7 140.49 58.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.344 -0.389 . . . . 15.0 110.263 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.474 ' HA ' ' OE1' ' A' ' 7' ' ' GLU . 4.2 tp10 -106.25 -15.23 14.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.861 0.319 . . . . 15.0 111.861 -178.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.432 ' HD3' ' O ' ' A' ' 2' ' ' PHE . 6.5 mtm180 66.55 84.74 0.17 Allowed Pre-proline 0 N--CA 1.465 0.304 0 CA-C-O 121.196 0.522 . . . . 15.0 111.108 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.2 171.15 14.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 15.0 112.434 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -100.46 9.45 42.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 15.0 111.388 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -120.66 130.88 54.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.106 -0.497 . . . . 15.0 109.876 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 19.8 tp -53.19 -50.57 81.65 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 113.467 0.914 . . . . 15.0 113.467 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 12' ' ' LEU . 10.6 Cg_endo -54.39 -35.79 85.55 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.29 1.993 . . . . 15.0 113.538 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -83.0 -29.69 28.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.577 0.227 . . . . 15.0 111.07 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.478 HD22 HD13 ' A' ' 52' ' ' ILE . 54.6 tp -65.46 -38.4 89.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.036 0.446 . . . . 15.0 110.03 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.9 m -62.1 -36.98 83.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.778 -0.647 . . . . 15.0 110.321 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -38.62 88.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 15.0 110.661 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -68.59 -32.81 72.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.185 0.517 . . . . 15.0 110.129 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.2 2.02 29.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.656 -0.702 . . . . 15.0 110.807 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 56.3 42.01 28.4 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.968 -0.56 . . . . 15.0 110.794 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -150.59 -173.74 4.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.99 -0.55 . . . . 15.0 110.72 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 p -112.14 173.01 6.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.697 0.284 . . . . 15.0 111.25 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -28.53 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 121.12 0.486 . . . . 15.0 110.666 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.49 49.17 1.75 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.859 -0.61 . . . . 15.0 109.485 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -168.39 -39.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.963 -178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 tt -63.91 128.1 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 115.795 -0.638 . . . . 15.0 111.247 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.0 mm -117.12 114.42 45.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.05 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -119.52 154.55 33.65 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.804 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -112.76 164.04 13.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.766 0.317 . . . . 15.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 34' ' ' LYS . 52.5 t -70.19 144.34 51.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.82 -0.627 . . . . 15.0 111.019 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.3 p -76.8 -25.55 15.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.834 -0.621 . . . . 15.0 111.175 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -102.24 -50.17 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.645 0.259 . . . . 15.0 111.674 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 m -80.23 -21.96 42.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.444 -0.344 . . . . 15.0 111.465 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 6.4 mptt 59.98 30.76 20.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.936 -0.574 . . . . 15.0 110.82 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -104.46 141.55 36.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.709 -0.678 . . . . 15.0 109.648 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -70.25 126.65 30.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.703 0.287 . . . . 15.0 110.72 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 mp -76.69 149.12 36.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.802 -0.635 . . . . 15.0 111.295 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.446 ' HG ' ' H ' ' A' ' 39' ' ' ARG . 12.1 tp -97.1 167.87 10.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.605 -0.725 . . . . 15.0 110.149 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 41.2 ttt180 -53.8 -30.09 43.41 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.905 0.482 . . . . 15.0 112.212 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -63.87 -53.96 42.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.608 0.242 . . . . 15.0 111.554 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 1.4 pm0 -72.38 -30.33 64.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.497 -0.319 . . . . 15.0 111.169 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 38' ' ' LEU . 56.1 t -62.63 -39.1 83.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 N-CA-C 109.75 -0.463 . . . . 15.0 109.75 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -72.22 -36.25 69.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 15.0 109.93 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -35.42 78.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.325 0.583 . . . . 15.0 109.883 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -66.99 -38.63 86.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.117 -0.947 . . . . 15.0 111.022 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.65 -21.66 30.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.282 -0.417 . . . . 15.0 111.771 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -71.84 -24.87 61.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.956 0.408 . . . . 15.0 110.597 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -116.7 169.7 9.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.396 -0.594 . . . . 15.0 109.396 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -91.24 89.59 7.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.098 0.475 . . . . 15.0 110.811 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.78 172.85 6.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.648 -0.706 . . . . 15.0 109.681 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.1 m -126.31 150.47 48.46 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.42 -0.215 . . . . 15.0 110.42 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.478 HD13 HD22 ' A' ' 15' ' ' LEU . 60.7 mt -80.75 132.15 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.922 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.24 114.93 34.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.96 -0.564 . . . . 15.0 110.33 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -96.65 111.65 23.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.33 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -92.04 108.91 20.28 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.599 -0.889 . . . . 15.0 108.599 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.3 t70 72.43 -70.74 0.15 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.892 0.745 . . . . 15.0 110.911 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.0 22.97 0.19 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.019 -0.61 . . . . 15.0 111.906 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -125.96 133.82 25.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.414 -0.217 . . . . 15.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.21 119.86 6.25 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.503 2.135 . . . . 15.0 112.783 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -119.84 155.03 33.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 15.0 110.0 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.31 174.91 5.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.028 0.442 . . . . 15.0 111.144 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.6 t -101.32 122.06 52.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.608 -0.724 . . . . 15.0 109.315 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.3 p -79.58 -174.88 4.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.392 0.615 . . . . 15.0 111.676 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.404 ' HA ' HD12 ' A' ' 67' ' ' LEU . 13.9 t70 -67.79 -27.23 66.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.941 -1.027 . . . . 15.0 111.192 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 21.5 mtpt -82.49 -51.14 8.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.049 0.452 . . . . 15.0 111.12 -179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.3 m -67.66 -19.48 65.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.002 -0.544 . . . . 15.0 111.327 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 64' ' ' ASP . 0.7 OUTLIER -53.91 -43.15 69.47 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.256 -0.429 . . . . 15.0 111.825 179.669 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 12.6 pttt -79.25 -19.17 51.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 15.0 111.198 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -76.19 -49.95 15.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.103 0.478 . . . . 15.0 110.795 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 . . . . . 0 C--O 1.245 0.819 0 CA-C-O 118.613 -0.708 . . . . 15.0 110.24 -179.492 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 109.923 -0.399 . . . . 15.0 109.923 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.23 88.31 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.262 0.554 . . . . 15.0 110.434 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 0.9 OUTLIER -108.9 -169.65 1.53 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.55 -0.75 . . . . 15.0 109.82 179.648 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . 0.418 ' HB2' ' HA ' ' B' ' 5' ' ' PRO . 2.7 p-10 -60.91 155.71 51.72 Favored Pre-proline 0 N--CA 1.468 0.46 0 O-C-N 123.04 0.213 . . . . 15.0 111.03 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' B' ' 4' ' ' ASP . 73.2 Cg_endo -74.91 -1.02 17.27 Favored 'Cis proline' 0 C--N 1.353 0.765 0 C-N-CA 124.005 -1.248 . . . . 15.0 113.477 1.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.534 ' HB2' ' O ' ' B' ' 3' ' ' GLN . 1.8 mp0 -64.34 129.13 38.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.294 -0.632 . . . . 15.0 109.294 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -96.25 -7.9 34.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.451 -0.341 . . . . 15.0 110.833 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.519 ' HB3' ' CZ ' ' B' ' 54' ' ' TYR . 0.6 OUTLIER 67.62 79.96 0.22 Allowed Pre-proline 0 C--N 1.332 -0.187 0 O-C-N 123.678 0.611 . . . . 15.0 110.972 179.166 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.556 ' HD3' ' OE1' ' B' ' 18' ' ' GLU . 21.2 Cg_exo -65.68 141.03 64.53 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.397 2.065 . . . . 15.0 111.656 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -85.14 13.99 5.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.03 0.443 . . . . 15.0 110.69 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -129.28 134.16 47.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 15.0 109.852 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 28.3 tp -55.14 -52.55 70.32 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 113.557 0.947 . . . . 15.0 113.557 -178.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' B' ' 12' ' ' LEU . 9.3 Cg_endo -53.67 -34.31 73.31 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.237 1.958 . . . . 15.0 112.862 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.34 -34.77 25.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.37 -0.377 . . . . 15.0 110.984 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.82 -37.75 85.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.322 -0.399 . . . . 15.0 110.624 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 45.3 m -62.63 -28.59 70.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.8 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -71.79 -42.19 67.41 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.702 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.556 ' OE1' ' HD3' ' B' ' 9' ' ' PRO . 3.5 mt-10 -66.73 -39.42 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.106 0.479 . . . . 15.0 110.398 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -77.27 -7.53 56.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.848 -0.614 . . . . 15.0 110.473 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 56.69 56.32 5.61 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.632 -0.713 . . . . 15.0 111.344 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.8 t -156.83 -171.11 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.783 -0.644 . . . . 15.0 109.339 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -115.55 174.91 5.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.728 0.299 . . . . 15.0 111.192 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.505 ' HA ' HG22 ' B' ' 26' ' ' ILE . 32.7 pt -73.9 4.65 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.67 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -104.15 -24.7 13.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.038 0.446 . . . . 15.0 110.246 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -107.12 -22.3 12.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.784 -0.644 . . . . 15.0 111.284 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.505 HG22 ' HA ' ' B' ' 23' ' ' ILE . 19.7 tt -65.54 131.54 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.447 0.642 . . . . 15.0 110.993 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 27.7 mm -121.93 121.82 65.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.782 -0.645 . . . . 15.0 110.224 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -125.76 160.12 30.6 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.624 -0.51 . . . . 15.0 109.624 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -122.22 155.63 35.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.53 0.205 . . . . 15.0 110.533 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . 0.728 ' O ' ' HA ' ' B' ' 34' ' ' LYS . 45.1 t -68.18 145.16 54.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.097 -0.501 . . . . 15.0 110.933 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.479 HG23 ' HB2' ' B' ' 55' ' ' ARG . 6.7 p -76.92 -32.25 19.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.308 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -85.15 -71.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.122 0.416 . . . . 15.0 112.122 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 p -76.58 -16.1 59.68 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.585 0.231 . . . . 15.0 111.331 -178.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.728 ' HA ' ' O ' ' B' ' 30' ' ' CYS . 32.9 mttp 62.56 35.23 14.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.496 0.665 . . . . 15.0 111.385 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -91.99 146.8 23.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.813 -0.63 . . . . 15.0 109.721 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -72.97 122.41 21.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.713 0.292 . . . . 15.0 110.766 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -81.01 126.14 31.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.243 -0.435 . . . . 15.0 110.097 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.465 ' HG ' ' H ' ' B' ' 39' ' ' ARG . 13.7 tp -89.52 171.34 9.78 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.13 -0.486 . . . . 15.0 109.749 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.465 ' H ' ' HG ' ' B' ' 38' ' ' LEU . 1.8 ttt180 -48.44 -33.9 10.08 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 122.9 0.48 . . . . 15.0 111.518 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -59.67 -42.15 92.24 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.789 -0.641 . . . . 15.0 111.211 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.85 -35.07 26.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.65 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 38' ' ' LEU . 96.0 t -58.16 -42.18 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.073 0.463 . . . . 15.0 110.617 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -70.2 -38.78 75.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.647 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.88 -37.99 89.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.346 0.593 . . . . 15.0 109.884 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -64.22 -39.5 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.346 -0.843 . . . . 15.0 110.725 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.46 ' HB2' HD23 ' B' ' 12' ' ' LEU . . . -82.49 -12.86 57.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 15.0 111.739 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -69.49 -29.3 66.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.371 -0.377 . . . . 15.0 110.976 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -117.44 173.94 6.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.161 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -88.1 89.81 8.14 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.983 -0.747 . . . . 15.0 108.983 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.67 167.1 10.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.103 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 19.8 p -119.04 139.91 50.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.933 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.438 HG23 ' O ' ' B' ' 60' ' ' TYR . 19.4 mt -83.97 125.1 40.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.972 0.415 . . . . 15.0 110.657 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -93.03 136.53 24.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.657 -0.701 . . . . 15.0 110.216 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 53.9 m-85 -110.64 111.51 22.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.113 0.482 . . . . 15.0 111.79 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.479 ' HB2' HG23 ' B' ' 31' ' ' VAL . 4.6 tmm_? -94.8 122.44 37.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.617 -0.719 . . . . 15.0 109.126 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 18.3 t70 70.48 -70.64 0.15 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.046 0.841 . . . . 15.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.78 27.24 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.443 -0.663 . . . . 15.0 111.443 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -130.58 144.11 52.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 109.8 -0.445 . . . . 15.0 109.8 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.51 121.06 9.02 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.627 2.218 . . . . 15.0 112.551 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' TYR . . . . . 0.438 ' O ' HG23 ' B' ' 52' ' ' ILE . 29.2 m-85 -124.41 156.28 37.4 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.412 -0.588 . . . . 15.0 109.412 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' B' ' 30' ' ' CYS . . . -128.98 -177.16 4.1 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.813 0.34 . . . . 15.0 110.513 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.42 115.86 50.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.58 -0.896 . . . . 15.0 108.58 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 6.7 p -72.04 169.51 15.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.963 0.411 . . . . 15.0 111.316 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.481 ' HA ' HD12 ' B' ' 67' ' ' LEU . 30.3 t70 -57.58 -23.46 50.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.691 -0.686 . . . . 15.0 111.631 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.45 ' H ' ' HD3' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -78.99 -55.04 5.43 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.811 -0.631 . . . . 15.0 111.146 -179.355 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' B' ' 69' ' ' PHE . 24.6 m -74.7 -17.32 60.68 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.045 0.758 . . . . 15.0 113.045 -179.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' B' ' 64' ' ' ASP . 10.1 mt -53.62 -37.8 63.4 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.498 0.555 . . . . 15.0 112.498 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -11.68 59.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.33 . . . . 15.0 111.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' B' ' 66' ' ' CYS . 3.8 m-85 -75.34 -49.72 18.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.419 -0.355 . . . . 15.0 111.126 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.815 -179.105 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_