data_2eem_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 2eem _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 ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.498 1.943 0 CA-C-O 120.894 0.378 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.36 76.19 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.705 -0.622 . . . . 0.0 110.752 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.6 m -63.54 -40.75 97.81 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.436 -0.79 . . . . 0.0 109.995 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 ttp-105 -67.73 -40.49 84.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.418 -0.801 . . . . 0.0 109.142 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.7 m -67.08 -36.21 81.49 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.736 -0.602 . . . . 0.0 109.934 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.508 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 2.4 ttmt -62.36 -41.2 98.42 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.597 -0.689 . . . . 0.0 109.774 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.08 -37.34 87.19 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -61.99 -41.21 97.79 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.506 -0.997 . . . . 0.0 110.248 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -67.52 -42.53 82.63 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.463 -0.773 . . . . 0.0 109.586 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -40.0 94.58 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.469 -0.769 . . . . 0.0 109.247 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.67 70.84 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.748 -0.595 . . . . 0.0 109.721 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -88.0 9.84 21.02 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.578 -0.701 . . . . 0.0 110.607 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 65.45 53.96 1.2 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.547 -0.721 . . . . 0.0 110.182 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 85.7 m -122.68 145.35 48.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.322 -0.861 . . . . 0.0 110.225 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.67 -6.72 49.51 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 120.405 -0.902 . . . . 0.0 110.868 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.436 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 0.8 OUTLIER -133.46 141.58 47.88 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.931 -1.334 . . . . 0.0 110.701 -179.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 2.0 p90 -154.4 148.84 26.18 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.455 -0.778 . . . . 0.0 110.201 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 22.5 t -119.22 147.2 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.579 -0.701 . . . . 0.0 109.544 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -152.24 128.6 10.6 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.44 -0.787 . . . . 0.0 110.509 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 t -148.51 130.44 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.607 -0.683 . . . . 0.0 110.104 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tt -108.42 124.44 50.4 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.155 -0.966 . . . . 0.0 109.499 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -145.05 136.51 25.22 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.473 -0.767 . . . . 0.0 111.208 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 53.49 29.78 9.53 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.742 -0.599 . . . . 0.0 111.406 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.06 19.3 75.17 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.83 144.79 45.06 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.354 -1.086 . . . . 0.0 109.325 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -107.21 124.96 50.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.309 -0.87 . . . . 0.0 111.0 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -109.26 96.3 6.2 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.2 m -111.73 153.85 25.88 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.335 -0.853 . . . . 0.0 111.487 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.539 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -152.08 152.85 32.89 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.253 0.549 . . . . 0.0 110.129 179.691 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 32.3 t -135.08 129.84 34.63 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.5 mt -141.05 -176.71 4.79 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.51 -0.744 . . . . 0.0 110.757 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.436 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER 54.17 53.99 10.23 Favored 'General case' 0 N--CA 1.5 2.075 0 CA-C-O 121.317 0.579 . . . . 0.0 110.109 -179.613 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 58.2 m . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 117.837 -1.077 . . . . 0.0 110.762 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.499 1.993 0 CA-C-O 121.038 0.447 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.86 -35.69 81.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.363 -0.836 . . . . 0.0 110.53 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.1 m -70.72 -38.38 73.6 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.355 -0.84 . . . . 0.0 110.253 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -69.26 -38.97 78.7 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.536 -0.727 . . . . 0.0 109.746 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.1 m -68.84 -34.69 75.9 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.665 -0.647 . . . . 0.0 110.204 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -64.85 -40.61 95.43 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.437 -0.79 . . . . 0.0 109.075 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.59 -41.28 99.55 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -61.41 -46.82 88.55 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.651 -0.911 . . . . 0.0 109.562 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -65.07 -37.93 89.13 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.662 -0.649 . . . . 0.0 109.371 178.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -41.14 97.14 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.621 -0.674 . . . . 0.0 109.587 178.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.86 86.29 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.863 -0.523 . . . . 0.0 110.193 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 8.9 ttt180 -80.69 4.88 17.3 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.415 -0.803 . . . . 0.0 110.786 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 66.44 49.12 1.43 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.454 -0.779 . . . . 0.0 110.507 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.563 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 78.4 m -106.7 146.32 30.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.445 -0.784 . . . . 0.0 110.246 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.19 -0.71 54.34 Favored Glycine 0 N--CA 1.49 2.293 0 C-N-CA 120.481 -0.866 . . . . 0.0 110.943 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.56 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 10.9 t80 -138.71 147.86 43.24 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.834 -1.392 . . . . 0.0 110.827 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -154.45 146.77 23.88 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.577 -0.702 . . . . 0.0 109.929 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.481 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 60.9 t -123.73 110.18 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.389 -0.819 . . . . 0.0 109.737 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 82.7 p -118.49 136.24 53.92 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.238 -0.914 . . . . 0.0 110.656 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.62 128.4 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.692 -0.63 . . . . 0.0 110.027 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.64 110.1 21.05 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.265 -0.897 . . . . 0.0 109.458 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -149.34 158.15 43.93 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.547 -0.721 . . . . 0.0 110.486 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 52.88 30.18 8.81 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.735 -0.603 . . . . 0.0 110.969 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.66 30.68 78.36 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.442 ' HD2' ' CZ ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -138.46 149.06 45.07 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.566 -0.961 . . . . 0.0 109.692 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.1 t -105.64 122.53 46.24 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.388 -0.82 . . . . 0.0 110.761 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.442 ' CZ ' ' HD2' ' A' ' 26' ' ' ARG . 76.0 m-85 -106.32 98.4 8.09 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.1 m -109.76 152.57 25.5 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.505 -0.747 . . . . 0.0 111.581 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.481 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -149.57 152.3 35.28 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.232 0.539 . . . . 0.0 110.028 179.803 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.563 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 48.6 t -132.9 127.58 34.69 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.562 -0.711 . . . . 0.0 109.252 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.7 mt -138.0 -176.57 4.48 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.454 -0.779 . . . . 0.0 110.898 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 0.5 OUTLIER 55.17 47.55 21.5 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.723 -0.61 . . . . 0.0 110.29 -179.76 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 60.1 m . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.824 -1.084 . . . . 0.0 110.746 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.499 2.018 0 CA-C-O 120.929 0.395 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.58 93.87 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.392 -0.817 . . . . 0.0 110.505 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 t -66.21 -39.3 89.54 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.361 -0.837 . . . . 0.0 109.77 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.7 mtt-85 -63.07 -40.74 98.58 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.61 -0.681 . . . . 0.0 109.962 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.7 m -66.77 -35.94 81.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.49 -0.756 . . . . 0.0 110.283 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -61.9 -41.89 98.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.533 -0.73 . . . . 0.0 109.329 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.36 -39.78 96.06 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -63.18 -42.12 99.31 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.505 -0.997 . . . . 0.0 109.85 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.467 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -68.16 -41.89 80.88 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.537 -0.727 . . . . 0.0 109.336 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -39.4 93.64 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.341 -0.85 . . . . 0.0 109.233 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.73 -29.99 71.15 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.657 -0.652 . . . . 0.0 109.697 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.2 mtt-85 -87.99 10.05 20.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.648 -0.657 . . . . 0.0 110.281 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.35 55.82 1.37 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.641 -0.662 . . . . 0.0 110.434 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 79.4 m -123.24 146.21 48.02 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.384 -0.822 . . . . 0.0 110.352 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.11 -2.28 51.55 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.536 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.4 t80 -138.01 143.17 40.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.94 -1.33 . . . . 0.0 110.464 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -156.74 146.14 20.53 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.342 -0.848 . . . . 0.0 110.128 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 25.1 t -115.95 150.75 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.67 -0.644 . . . . 0.0 109.54 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.4 p -155.32 135.09 12.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.355 -0.841 . . . . 0.0 110.774 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -151.85 130.54 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.783 -0.573 . . . . 0.0 109.712 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -107.87 115.91 30.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.065 -1.022 . . . . 0.0 109.893 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -137.15 137.92 39.71 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.561 -0.712 . . . . 0.0 111.053 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 52.78 32.24 11.88 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.805 -0.559 . . . . 0.0 111.307 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.14 17.75 80.19 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.74 146.56 44.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.309 -1.112 . . . . 0.0 109.449 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -106.81 124.81 50.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.401 -0.812 . . . . 0.0 111.218 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -108.51 96.16 6.15 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.4 m -115.17 157.07 24.15 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.263 -0.898 . . . . 0.0 111.794 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.457 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -149.31 153.61 37.75 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.335 0.588 . . . . 0.0 109.897 179.782 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 21.6 t -131.02 128.08 39.62 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.529 -0.732 . . . . 0.0 109.424 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mt -138.72 -177.35 4.83 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.475 -0.766 . . . . 0.0 110.987 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.536 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 9.5 mmt180 54.34 52.62 12.18 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.293 0.568 . . . . 0.0 110.239 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 56.9 m . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.656 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 N--CA 1.498 1.946 0 CA-C-O 120.933 0.397 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.63 -38.37 87.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.61 -0.681 . . . . 0.0 110.267 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.0 m -63.97 -41.07 97.66 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.503 -0.748 . . . . 0.0 110.113 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -65.73 -41.79 91.78 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.506 -0.746 . . . . 0.0 109.328 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.5 m -64.37 -35.56 81.29 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.79 -0.569 . . . . 0.0 110.142 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.489 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 9.6 ttmm -62.14 -43.79 98.05 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.618 -0.676 . . . . 0.0 109.379 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.31 -37.68 94.2 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -61.09 -40.91 95.48 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.561 -0.964 . . . . 0.0 110.146 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -69.5 -40.32 77.08 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.424 -0.797 . . . . 0.0 109.465 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -38.91 92.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.503 -0.748 . . . . 0.0 109.061 178.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.04 -27.98 67.84 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.825 -0.547 . . . . 0.0 109.673 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 1.9 mmm180 -88.34 9.25 23.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.436 -0.79 . . . . 0.0 110.363 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.417 ' HB3' ' O ' ' A' ' 13' ' ' ARG . 26.6 ttp-105 63.54 58.13 1.37 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.636 -0.665 . . . . 0.0 109.945 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 79.9 m -128.95 146.02 51.07 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.537 -0.727 . . . . 0.0 110.295 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.82 8.35 46.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.503 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 2.4 t80 -145.64 144.11 30.24 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.934 -1.333 . . . . 0.0 110.425 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.489 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 2.6 p90 -160.08 149.0 17.35 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.423 -0.798 . . . . 0.0 110.25 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 25.5 t -116.62 147.24 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.543 -0.723 . . . . 0.0 109.508 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -151.49 131.56 13.47 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.311 -0.868 . . . . 0.0 110.553 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -148.61 126.45 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.578 -0.701 . . . . 0.0 109.988 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -108.69 116.81 32.68 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.286 -0.884 . . . . 0.0 109.487 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -148.33 147.26 29.09 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.471 -0.768 . . . . 0.0 111.124 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 51.06 33.04 8.43 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.897 -0.502 . . . . 0.0 111.315 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.64 28.17 73.33 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 28' ' ' TYR . 2.7 tpt180 -129.25 142.17 50.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.587 -0.949 . . . . 0.0 109.449 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.0 t -107.54 122.73 47.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.387 -0.821 . . . . 0.0 110.821 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.421 ' CZ ' ' HG2' ' A' ' 26' ' ' ARG . 97.5 m-85 -108.39 95.86 5.96 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.5 m -109.75 159.13 17.43 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.493 -0.755 . . . . 0.0 111.514 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.7 OUTLIER -156.65 150.46 24.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.317 0.58 . . . . 0.0 110.158 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 49.5 t -131.32 126.39 35.18 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.567 -0.708 . . . . 0.0 109.093 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 mp -137.6 -177.99 5.04 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.465 -0.772 . . . . 0.0 111.297 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.503 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 16.6 mmt180 53.63 59.29 4.42 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 121.364 0.602 . . . . 0.0 109.964 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 63.1 m . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.624 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 120.946 0.403 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.7 85.83 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.464 -0.773 . . . . 0.0 110.565 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 p -66.06 -39.26 89.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.35 -0.844 . . . . 0.0 109.916 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -61.63 -42.44 98.9 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.605 -0.684 . . . . 0.0 109.652 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.1 m -65.94 -36.66 83.97 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.412 -0.805 . . . . 0.0 109.972 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -60.69 -42.91 98.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.701 -0.624 . . . . 0.0 109.556 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.1 -38.16 93.73 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -64.06 -40.01 95.32 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.537 -0.978 . . . . 0.0 110.091 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.0 t -71.69 -39.76 70.0 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.522 -0.736 . . . . 0.0 109.454 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -39.29 89.42 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.495 -0.753 . . . . 0.0 109.181 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.24 -29.06 69.23 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.691 -0.63 . . . . 0.0 109.988 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -88.52 11.01 18.33 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.473 -0.767 . . . . 0.0 110.596 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? 65.07 57.18 0.97 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.525 -0.734 . . . . 0.0 110.415 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 81.0 m -128.62 146.77 50.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.371 -0.831 . . . . 0.0 110.185 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.63 -9.85 39.59 Favored Glycine 0 N--CA 1.492 2.39 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.039 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -129.09 142.98 50.72 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.87 -1.37 . . . . 0.0 110.643 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -157.11 145.37 19.44 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.449 -0.782 . . . . 0.0 110.153 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.545 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 27.1 t -115.42 150.74 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.55 -0.719 . . . . 0.0 109.683 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.2 p -153.49 135.67 14.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.39 -0.819 . . . . 0.0 110.606 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.6 t -150.71 130.37 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.693 -0.63 . . . . 0.0 109.877 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -109.03 111.85 23.72 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.137 -0.977 . . . . 0.0 109.63 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -145.79 151.74 38.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.577 -0.702 . . . . 0.0 110.678 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 53.09 28.55 6.98 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.893 -0.505 . . . . 0.0 111.44 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.72 26.37 74.5 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.86 147.7 52.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.496 -1.002 . . . . 0.0 109.585 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 t -105.65 121.34 43.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.384 -0.823 . . . . 0.0 110.671 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -106.25 100.07 9.62 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.4 m -117.83 160.65 21.02 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.308 -0.87 . . . . 0.0 111.74 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.545 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 7.2 mttt -151.37 157.22 42.16 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.393 0.616 . . . . 0.0 110.095 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.2 t -135.45 128.79 32.14 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.67 -0.644 . . . . 0.0 109.457 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 mt -140.96 -177.71 5.22 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.458 -0.776 . . . . 0.0 110.943 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.6 mmm-85 55.19 56.36 6.56 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.818 -0.552 . . . . 0.0 110.004 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.2 m . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 117.879 -1.058 . . . . 0.0 110.374 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 121.055 0.455 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.5 97.05 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.587 -0.696 . . . . 0.0 111.105 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.7 p -69.21 -36.64 77.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.224 -0.923 . . . . 0.0 110.434 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -72.47 -39.15 67.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.511 -0.743 . . . . 0.0 109.579 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -68.39 -36.23 78.84 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.638 -0.664 . . . . 0.0 109.79 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -62.65 -41.64 99.16 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.711 -0.618 . . . . 0.0 109.391 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.68 -39.23 96.54 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.93 -36.44 81.39 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.553 -0.969 . . . . 0.0 110.329 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.445 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.7 t -70.9 -40.49 72.14 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.486 -0.759 . . . . 0.0 109.443 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -41.02 98.32 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.48 -0.762 . . . . 0.0 109.28 178.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.54 -29.06 70.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.619 -0.676 . . . . 0.0 109.845 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -87.69 10.47 18.05 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.532 -0.73 . . . . 0.0 110.52 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.71 56.65 1.51 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.525 -0.735 . . . . 0.0 110.224 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 77.4 m -125.88 144.28 50.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.4 -0.813 . . . . 0.0 110.466 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.24 -0.87 50.95 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.485 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 27.5 t80 -137.01 149.03 47.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.933 -1.333 . . . . 0.0 110.153 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -157.31 156.95 33.26 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.468 -0.77 . . . . 0.0 110.372 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.407 ' HB ' ' CB ' ' A' ' 30' ' ' LYS . 29.8 t -129.05 144.23 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.67 -0.644 . . . . 0.0 109.381 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.5 p -150.84 132.69 15.06 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.336 -0.852 . . . . 0.0 110.42 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.3 t -150.2 130.7 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.565 -0.71 . . . . 0.0 110.043 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.92 115.39 29.98 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.189 -0.944 . . . . 0.0 109.435 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -131.24 129.57 41.77 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.389 -0.819 . . . . 0.0 111.574 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.73 30.81 11.74 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.747 -0.596 . . . . 0.0 111.566 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.08 10.12 81.14 Favored Glycine 0 N--CA 1.495 2.567 0 C-N-CA 120.306 -0.949 . . . . 0.0 110.88 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -110.81 144.27 40.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.199 -1.177 . . . . 0.0 109.356 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.3 t -107.53 122.81 47.4 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.33 -0.856 . . . . 0.0 111.326 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -107.8 98.58 8.15 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.8 m -111.94 153.89 26.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.422 -0.799 . . . . 0.0 111.55 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' CB ' ' HB ' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -150.41 152.81 34.9 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.415 0.626 . . . . 0.0 110.248 179.631 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 20.7 t -130.79 127.45 38.71 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mp -137.59 -177.89 4.99 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.393 -0.817 . . . . 0.0 111.052 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.485 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 7.1 mmt-85 54.39 53.22 11.15 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-O 121.325 0.583 . . . . 0.0 110.239 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 56.3 m . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 117.796 -1.097 . . . . 0.0 110.655 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.497 1.904 0 CA-C-O 121.045 0.45 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.55 -35.24 79.85 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.542 -0.723 . . . . 0.0 110.449 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 t -69.12 -37.73 78.5 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.416 -0.802 . . . . 0.0 110.216 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.6 -40.01 80.63 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.338 -0.851 . . . . 0.0 109.711 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.4 m -66.99 -35.62 80.36 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.632 -0.668 . . . . 0.0 109.867 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -61.77 -42.84 99.5 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.599 -0.688 . . . . 0.0 109.252 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.66 -39.79 98.35 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -60.08 -46.42 89.62 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.533 -0.981 . . . . 0.0 109.855 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.0 t -66.33 -40.34 89.81 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.712 -0.617 . . . . 0.0 109.586 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.34 -37.76 86.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.391 -0.818 . . . . 0.0 109.436 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.36 72.13 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.556 -0.715 . . . . 0.0 110.057 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.07 10.54 18.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.393 -0.817 . . . . 0.0 110.482 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.59 58.69 1.01 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.599 -0.688 . . . . 0.0 110.555 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.531 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 80.7 m -122.27 143.29 49.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.255 -0.903 . . . . 0.0 109.835 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.69 7.22 57.58 Favored Glycine 0 N--CA 1.492 2.38 0 C-N-CA 120.367 -0.921 . . . . 0.0 110.955 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.49 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 2.1 t80 -148.53 144.36 27.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.897 -1.355 . . . . 0.0 110.437 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -159.8 151.08 19.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.438 -0.789 . . . . 0.0 110.266 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.0 t -118.92 147.07 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.608 -0.683 . . . . 0.0 109.634 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.5 p -152.48 132.33 13.28 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.373 -0.829 . . . . 0.0 110.378 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.3 t -150.73 131.23 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.707 -0.621 . . . . 0.0 110.188 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.71 126.57 53.14 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.193 -0.942 . . . . 0.0 109.726 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -142.26 127.1 18.2 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.376 -0.828 . . . . 0.0 111.213 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 53.78 26.52 6.1 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.866 -0.521 . . . . 0.0 111.831 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.39 12.37 65.17 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.57 136.42 50.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.276 -1.132 . . . . 0.0 109.171 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 t -104.99 124.26 49.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.318 -0.864 . . . . 0.0 111.141 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -107.39 97.73 7.45 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.6 m -113.16 150.97 31.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.276 -0.89 . . . . 0.0 111.531 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -149.68 154.14 38.1 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.295 0.569 . . . . 0.0 110.093 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 49.6 t -133.34 129.15 37.1 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.525 -0.734 . . . . 0.0 109.547 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp -138.26 -178.84 5.46 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.47 -0.769 . . . . 0.0 111.094 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 11.5 mmt180 53.56 53.63 11.26 Favored 'General case' 0 N--CA 1.501 2.096 0 CA-C-O 121.327 0.584 . . . . 0.0 110.412 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 63.7 m . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.457 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 120.875 0.369 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.73 -40.55 92.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.633 -0.667 . . . . 0.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -64.87 -38.51 91.21 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.451 -0.78 . . . . 0.0 110.281 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -40.84 88.56 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.612 -0.68 . . . . 0.0 109.558 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.4 m -64.86 -37.64 88.31 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.673 -0.642 . . . . 0.0 110.309 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -61.85 -42.7 99.36 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.555 -0.716 . . . . 0.0 109.546 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.64 -38.32 95.52 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -63.03 -44.71 95.18 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.463 -1.022 . . . . 0.0 109.969 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.476 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.7 t -65.78 -39.41 90.96 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.523 -0.736 . . . . 0.0 109.656 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -39.82 89.38 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.335 -0.853 . . . . 0.0 109.216 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.51 -25.57 65.91 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.752 -0.592 . . . . 0.0 109.766 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -89.39 8.58 30.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.539 -0.726 . . . . 0.0 110.521 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 7.1 tpm_? 64.18 56.5 1.35 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.545 -0.722 . . . . 0.0 110.086 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 78.8 m -125.28 145.59 49.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.445 -0.784 . . . . 0.0 110.182 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.04 -0.78 51.56 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.535 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.2 t80 -139.81 142.95 36.64 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.86 -1.376 . . . . 0.0 110.687 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -156.16 148.48 23.52 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.409 -0.807 . . . . 0.0 110.207 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 34.1 t -119.27 148.19 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.596 -0.69 . . . . 0.0 109.482 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.8 p -151.62 134.94 16.02 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.329 -0.857 . . . . 0.0 110.679 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -151.54 128.76 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.645 -0.659 . . . . 0.0 109.94 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 tt -109.16 110.05 21.18 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -148.38 157.3 43.39 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.501 -0.749 . . . . 0.0 110.703 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 ttt-85 52.13 31.41 8.95 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.832 -0.542 . . . . 0.0 111.022 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.91 32.29 83.68 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -138.99 149.95 45.3 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.542 -0.975 . . . . 0.0 109.974 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -106.89 122.58 46.69 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.575 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -107.6 101.0 10.36 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.6 m -117.44 154.91 30.57 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.385 -0.822 . . . . 0.0 111.431 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.552 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -148.59 151.61 35.35 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.335 0.588 . . . . 0.0 109.931 179.628 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 37.3 t -132.77 127.44 34.63 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.552 -0.717 . . . . 0.0 109.342 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.4 mt -139.66 -174.8 3.99 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.48 -0.762 . . . . 0.0 110.794 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.535 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 16.3 mmt85 55.83 49.16 16.64 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-O 121.37 0.605 . . . . 0.0 109.994 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 46.3 m . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.643 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.498 1.941 0 CA-C-O 120.945 0.402 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.91 93.03 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.518 -0.739 . . . . 0.0 110.444 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m -64.61 -39.34 93.54 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.381 -0.824 . . . . 0.0 110.172 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -67.02 -40.65 87.32 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.408 -0.808 . . . . 0.0 109.556 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.9 m -65.18 -37.47 87.45 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.733 -0.605 . . . . 0.0 110.1 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -61.16 -42.51 98.69 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.595 -0.691 . . . . 0.0 109.4 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.26 -38.59 95.29 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.206 -1.558 . . . . 0.0 109.206 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.19 -41.64 98.54 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.506 -0.997 . . . . 0.0 110.239 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.479 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -70.43 -40.11 73.98 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.525 -0.734 . . . . 0.0 109.121 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -64.38 -39.82 94.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.567 -0.708 . . . . 0.0 109.181 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.89 73.21 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.663 -0.648 . . . . 0.0 110.108 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.12 10.19 17.5 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.394 -0.816 . . . . 0.0 110.682 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 64.64 55.43 1.29 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.62 -0.675 . . . . 0.0 110.328 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.479 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 82.5 m -121.01 143.83 48.84 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.302 -0.874 . . . . 0.0 110.277 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.68 5.11 54.02 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.414 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 2.3 t80 -144.13 142.71 30.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.977 -1.308 . . . . 0.0 110.5 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -158.53 148.63 19.78 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.34 -0.85 . . . . 0.0 110.32 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.8 t -117.08 149.32 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.621 -0.674 . . . . 0.0 109.553 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.4 p -153.02 133.56 13.72 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.396 -0.815 . . . . 0.0 110.629 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -151.37 128.91 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.626 -0.671 . . . . 0.0 109.896 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.06 109.82 20.93 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.228 -0.92 . . . . 0.0 109.331 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -146.52 154.56 41.69 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.478 -0.764 . . . . 0.0 110.952 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 52.72 29.87 8.05 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.914 -0.491 . . . . 0.0 111.361 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.58 30.51 74.95 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -137.18 149.38 47.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.513 -0.993 . . . . 0.0 109.929 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.6 t -107.33 121.41 44.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.429 -0.794 . . . . 0.0 110.616 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -106.77 99.72 9.27 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.5 m -114.42 156.97 23.52 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.351 -0.843 . . . . 0.0 111.445 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.8 154.36 38.3 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.287 0.565 . . . . 0.0 110.164 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.458 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 27.9 t -135.07 128.88 33.08 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.668 -0.645 . . . . 0.0 109.293 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.6 mt -141.65 -179.12 5.98 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.315 -0.866 . . . . 0.0 111.089 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.414 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 4.6 mmp_? 54.53 56.2 7.1 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.435 0.636 . . . . 0.0 110.177 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 59.6 m . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.753 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.496 1.871 0 CA-C-O 121.069 0.461 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.19 86.66 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.556 -0.715 . . . . 0.0 110.211 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 t -65.84 -39.77 91.13 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.333 -0.854 . . . . 0.0 110.122 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -68.34 -40.64 81.49 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.544 -0.722 . . . . 0.0 109.801 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -65.45 -35.8 82.0 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.674 -0.641 . . . . 0.0 110.551 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -63.78 -41.99 97.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.325 -0.859 . . . . 0.0 109.343 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.33 -39.27 96.84 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -61.42 -47.6 85.05 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.503 -0.998 . . . . 0.0 109.8 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.8 t -63.49 -40.85 98.19 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.606 -0.684 . . . . 0.0 109.661 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -38.35 87.85 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.39 -0.819 . . . . 0.0 109.459 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.14 -34.9 77.26 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.628 -0.67 . . . . 0.0 109.728 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' A' ' 14' ' ' ARG . 5.2 ttt180 -83.14 6.15 20.2 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.559 -0.713 . . . . 0.0 110.406 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 2.9 tpp180 69.15 49.29 0.63 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.607 -0.683 . . . . 0.0 110.408 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 83.1 m -113.04 148.37 35.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.357 -0.839 . . . . 0.0 110.251 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.04 -7.36 41.2 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.41 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.9 t80 -131.43 142.56 50.04 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.875 -1.368 . . . . 0.0 110.47 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -157.85 147.01 19.61 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.363 -0.835 . . . . 0.0 110.177 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.8 t -118.47 148.9 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.572 -0.705 . . . . 0.0 109.592 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -152.49 132.94 13.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.326 -0.859 . . . . 0.0 110.359 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -151.49 129.85 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.535 -0.728 . . . . 0.0 110.153 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -107.89 109.79 21.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.197 -0.94 . . . . 0.0 109.339 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -138.47 147.72 43.55 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.47 -0.769 . . . . 0.0 110.893 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 53.34 30.44 10.23 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.803 -0.561 . . . . 0.0 111.141 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.09 24.51 75.87 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -126.43 149.23 49.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.505 -0.997 . . . . 0.0 109.454 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -106.59 123.58 48.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.395 -0.816 . . . . 0.0 110.968 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -106.99 96.51 6.48 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.8 m -112.22 151.96 28.97 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.36 -0.838 . . . . 0.0 111.337 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.4 154.18 39.57 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.299 0.571 . . . . 0.0 110.197 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 38.2 t -136.16 131.11 34.25 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.552 -0.717 . . . . 0.0 109.384 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.0 mt -142.49 -178.43 5.76 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.418 -0.801 . . . . 0.0 110.86 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.41 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 3.3 mmm180 54.14 53.98 10.26 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 121.245 0.545 . . . . 0.0 110.188 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 62.4 m . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.548 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.5 2.064 0 CA-C-O 120.856 0.36 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.94 96.44 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.571 -0.705 . . . . 0.0 110.366 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 m -64.64 -40.02 94.73 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.548 -0.72 . . . . 0.0 110.347 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -65.69 -40.38 92.24 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.456 -0.778 . . . . 0.0 109.421 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.6 m -72.18 -33.51 67.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.586 -0.696 . . . . 0.0 109.589 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -65.07 -40.56 94.86 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.623 -0.673 . . . . 0.0 109.228 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.5 -40.62 98.96 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.78 -43.89 97.62 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.638 -0.919 . . . . 0.0 109.555 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 7.9 t -66.19 -41.07 90.74 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.612 -0.68 . . . . 0.0 109.444 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -39.7 94.3 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.651 -0.656 . . . . 0.0 109.322 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.24 -35.27 78.44 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.634 -0.666 . . . . 0.0 109.793 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -80.75 6.49 12.78 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.526 -0.734 . . . . 0.0 110.458 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.77 49.1 0.72 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.721 -0.612 . . . . 0.0 110.433 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.563 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 76.7 m -115.71 144.92 43.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.357 -0.839 . . . . 0.0 110.301 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.48 -6.97 49.75 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.188 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.494 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.1 t80 -130.06 144.65 51.46 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.921 -1.341 . . . . 0.0 110.604 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -152.23 145.35 24.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.493 -0.755 . . . . 0.0 110.245 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.2 t -121.4 110.39 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.598 -0.689 . . . . 0.0 109.702 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.4 p -119.17 139.25 52.14 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.338 -0.851 . . . . 0.0 110.786 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t -149.57 145.75 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.609 -0.682 . . . . 0.0 110.203 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -124.46 125.18 43.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.276 -0.89 . . . . 0.0 109.568 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -148.09 134.51 19.63 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.401 -0.812 . . . . 0.0 111.021 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 54.48 25.92 6.63 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.959 -0.463 . . . . 0.0 111.594 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.27 15.72 68.52 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -115.7 140.33 49.3 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.197 -1.178 . . . . 0.0 109.433 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -107.54 122.63 47.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.393 -0.817 . . . . 0.0 110.893 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 45.4 m-85 -107.32 103.13 12.41 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.6 m -111.45 152.54 27.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.355 -0.841 . . . . 0.0 111.736 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.4 155.13 38.0 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.392 0.615 . . . . 0.0 110.12 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.563 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 46.2 t -134.93 133.02 39.15 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.623 -0.673 . . . . 0.0 109.674 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.5 mt -141.89 -178.83 5.87 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.493 -0.755 . . . . 0.0 110.743 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.494 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 15.8 mmt180 53.89 58.84 4.71 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.403 0.621 . . . . 0.0 109.948 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 60.4 m . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.498 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 121.03 0.443 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.44 -37.05 77.12 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.594 -0.691 . . . . 0.0 110.243 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -63.62 -42.48 98.19 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.579 -0.701 . . . . 0.0 110.072 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -41.11 81.28 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.543 -0.723 . . . . 0.0 109.55 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.3 m -67.41 -33.34 74.98 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.735 -0.603 . . . . 0.0 109.695 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -62.71 -44.29 96.6 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.35 -40.1 98.61 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -61.44 -43.97 97.94 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.543 -0.975 . . . . 0.0 109.946 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 3.3 t -68.89 -40.96 78.91 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.757 -0.589 . . . . 0.0 109.585 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -37.04 82.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.328 -0.857 . . . . 0.0 109.434 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.39 -31.62 72.31 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.518 -0.739 . . . . 0.0 109.616 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.07 8.78 28.06 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.544 -0.723 . . . . 0.0 110.434 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 65.81 55.04 1.0 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.665 -0.647 . . . . 0.0 110.48 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 76.8 m -117.96 143.95 45.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.443 -0.786 . . . . 0.0 110.117 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.48 2.55 49.89 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.469 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 3.8 t80 -137.2 142.81 42.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.019 -1.283 . . . . 0.0 110.355 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -155.2 140.58 17.72 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.47 -0.769 . . . . 0.0 109.928 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.621 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 51.0 t -117.02 109.66 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.378 -0.826 . . . . 0.0 110.009 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.1 p -117.98 132.52 56.38 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.343 -0.848 . . . . 0.0 110.218 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -145.52 128.5 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.495 -0.753 . . . . 0.0 110.367 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -109.07 108.56 19.3 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.27 -0.894 . . . . 0.0 109.204 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -136.34 143.71 44.26 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.43 -0.794 . . . . 0.0 110.971 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 54.22 30.43 12.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.832 -0.542 . . . . 0.0 111.034 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.45 19.74 79.07 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.502 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -119.86 146.78 45.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.343 -1.092 . . . . 0.0 109.517 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 t -107.92 121.46 44.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.378 -0.826 . . . . 0.0 111.019 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 26' ' ' ARG . 95.0 m-85 -107.57 99.29 8.8 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.7 m -110.15 149.79 29.57 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.439 -0.788 . . . . 0.0 111.431 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.621 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 4.6 mttm -150.42 155.12 38.96 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.29 0.566 . . . . 0.0 109.99 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 37.0 t -133.77 131.65 39.6 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.599 -0.688 . . . . 0.0 109.523 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.1 mt -141.25 178.93 7.07 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.378 -0.826 . . . . 0.0 111.121 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.469 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 20.2 mmt180 53.76 60.22 3.8 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.394 0.616 . . . . 0.0 110.215 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 60.9 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.366 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.499 2.01 0 CA-C-O 120.896 0.379 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.18 98.9 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.602 -0.686 . . . . 0.0 110.69 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.2 m -66.32 -38.94 88.87 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.439 -0.788 . . . . 0.0 109.97 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -63.66 -43.79 95.71 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.65 -0.656 . . . . 0.0 109.407 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.0 m -68.72 -33.92 74.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.737 -0.602 . . . . 0.0 109.994 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -39.76 94.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.493 -0.754 . . . . 0.0 109.342 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.0 -40.3 97.04 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -62.0 -46.02 91.07 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.594 -0.945 . . . . 0.0 109.661 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.542 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 8.1 t -65.03 -42.34 94.45 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.719 -0.613 . . . . 0.0 109.607 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -40.4 96.34 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.474 -0.767 . . . . 0.0 109.079 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.47 -26.82 67.37 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.708 -0.62 . . . . 0.0 109.609 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -87.05 11.04 14.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.456 -0.777 . . . . 0.0 110.44 178.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HB3' ' O ' ' A' ' 13' ' ' ARG . 6.7 ttm180 65.98 56.03 0.89 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.693 -0.629 . . . . 0.0 110.291 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.542 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.6 m -130.9 142.71 50.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.549 -0.719 . . . . 0.0 110.036 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.36 9.19 53.33 Favored Glycine 0 N--CA 1.491 2.335 0 C-N-CA 120.412 -0.899 . . . . 0.0 110.888 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.52 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 22.2 t80 -143.79 148.71 35.98 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.011 -1.287 . . . . 0.0 110.667 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -158.59 149.88 20.74 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.543 -0.723 . . . . 0.0 110.389 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.76 112.92 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.631 -0.668 . . . . 0.0 109.629 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -119.87 141.38 49.62 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.29 -0.882 . . . . 0.0 110.714 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -150.48 128.58 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.699 -0.625 . . . . 0.0 109.935 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -109.57 110.46 21.55 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.285 -0.884 . . . . 0.0 109.427 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -149.72 157.58 43.36 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.513 -0.742 . . . . 0.0 110.705 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 52.38 31.1 9.04 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.842 -0.536 . . . . 0.0 111.1 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.17 32.69 85.02 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -141.39 149.48 41.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.508 -0.995 . . . . 0.0 109.917 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.6 t -106.59 123.23 47.8 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.466 -0.771 . . . . 0.0 110.703 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -107.03 101.51 10.93 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.4 m -111.57 151.88 28.21 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.352 -0.843 . . . . 0.0 111.847 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.56 153.47 38.43 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.332 0.587 . . . . 0.0 109.969 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.49 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 48.9 t -130.74 132.26 45.23 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.5 -0.75 . . . . 0.0 109.499 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.3 mt -141.63 -179.55 6.24 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.416 -0.802 . . . . 0.0 111.136 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.52 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 53.8 mmt-85 54.33 58.85 4.59 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.441 0.639 . . . . 0.0 110.142 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.5 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.463 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.5 2.065 0 CA-C-O 120.8 0.333 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.08 -41.18 74.73 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.55 -0.719 . . . . 0.0 110.258 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.9 m -65.74 -39.75 91.42 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.515 -0.741 . . . . 0.0 109.913 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -41.01 98.06 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.514 -0.741 . . . . 0.0 109.943 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.4 m -68.27 -34.56 76.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.596 -0.69 . . . . 0.0 110.239 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -63.59 -42.63 98.26 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.571 -0.705 . . . . 0.0 109.521 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.49 -37.53 90.01 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -61.84 -43.38 98.96 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.603 -0.939 . . . . 0.0 110.264 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.528 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.6 t -66.01 -38.31 88.12 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.505 -0.747 . . . . 0.0 109.801 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -65.23 -39.72 93.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.466 -0.771 . . . . 0.0 109.293 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.73 72.99 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.619 -0.675 . . . . 0.0 110.005 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -86.74 9.25 19.48 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.516 -0.74 . . . . 0.0 110.559 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 64.23 55.19 1.49 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.542 -0.724 . . . . 0.0 110.296 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.528 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 82.3 m -124.11 143.5 50.43 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.419 -0.8 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.68 9.33 55.42 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.566 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.6 t80 -146.52 142.65 28.26 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.982 -1.305 . . . . 0.0 110.4 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -157.57 154.77 29.06 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.336 -0.853 . . . . 0.0 110.372 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 38.7 t -125.33 147.97 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.671 -0.643 . . . . 0.0 109.553 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.3 p -152.85 136.7 16.22 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.328 -0.858 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -151.01 130.6 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.816 -0.552 . . . . 0.0 109.869 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.41 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 1.5 tt -107.78 114.53 28.55 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.227 -0.921 . . . . 0.0 109.651 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -128.16 128.14 44.25 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.432 -0.793 . . . . 0.0 111.149 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 55.95 27.36 11.04 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.753 -0.592 . . . . 0.0 111.516 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.27 6.33 78.4 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 22' ' ' LEU . 6.8 ttt180 -102.88 156.31 17.74 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.164 -1.198 . . . . 0.0 109.22 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.8 t -117.97 121.61 41.1 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.314 -0.866 . . . . 0.0 111.05 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -108.76 98.84 8.27 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 28.8 m -117.86 157.58 26.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.275 -0.891 . . . . 0.0 111.871 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.457 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -151.27 151.2 31.49 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.306 0.575 . . . . 0.0 109.977 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.511 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 36.6 t -128.85 126.25 39.41 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.404 ' HG ' ' C ' ' A' ' 31' ' ' CYS . 26.1 mt -136.69 -180.0 6.03 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.409 -0.807 . . . . 0.0 111.162 -178.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 87.1 mmt-85 56.12 57.22 5.2 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 121.441 0.639 . . . . 0.0 109.972 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.8 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 117.823 -1.084 . . . . 0.0 110.61 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.499 2.004 0 CA-C-O 120.846 0.355 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.4 77.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.581 -0.699 . . . . 0.0 110.541 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.6 t -64.51 -39.79 94.44 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.457 -0.777 . . . . 0.0 110.187 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -67.97 -40.84 83.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.45 -0.781 . . . . 0.0 109.375 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.3 m -64.59 -37.1 86.39 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.801 -0.562 . . . . 0.0 110.227 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 1.2 ttmt -62.35 -42.09 99.11 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.563 -0.711 . . . . 0.0 109.668 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.61 -38.08 94.26 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -60.7 -47.16 87.52 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.659 -0.906 . . . . 0.0 109.946 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 3.9 t -63.8 -41.09 97.97 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.51 -0.744 . . . . 0.0 109.47 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 ttp85 -62.8 -42.24 99.62 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.592 -0.693 . . . . 0.0 109.222 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.03 -31.86 71.49 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.753 -0.592 . . . . 0.0 110.077 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -87.65 11.8 14.23 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.449 -0.782 . . . . 0.0 110.573 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 64.7 56.08 1.2 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.609 -0.682 . . . . 0.0 110.428 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.573 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 77.5 m -125.29 142.91 51.22 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.275 -0.891 . . . . 0.0 110.172 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.81 7.66 49.62 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.54 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 2.9 t80 -142.31 144.63 33.32 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.049 -1.265 . . . . 0.0 110.191 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.553 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 3.1 p90 -162.97 152.0 14.85 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.25 -0.906 . . . . 0.0 110.484 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.8 t -118.61 147.88 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.65 -0.656 . . . . 0.0 109.469 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -151.76 132.32 13.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.316 -0.865 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -150.04 128.97 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.7 -0.625 . . . . 0.0 110.116 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -109.45 111.23 22.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.277 -0.889 . . . . 0.0 109.362 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -148.68 154.41 39.6 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.394 -0.816 . . . . 0.0 110.948 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.81 33.93 9.36 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 121.199 0.523 . . . . 0.0 111.18 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.63 33.25 86.75 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -137.88 144.65 41.46 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.628 -0.925 . . . . 0.0 109.845 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -106.17 121.25 43.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.483 -0.76 . . . . 0.0 110.424 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -106.53 102.06 11.48 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.1 m -115.6 152.68 32.62 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.412 -0.805 . . . . 0.0 111.354 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -147.52 153.72 39.85 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.255 0.55 . . . . 0.0 110.132 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 49.3 t -133.97 127.66 32.82 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.564 -0.71 . . . . 0.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mp -139.4 179.85 6.3 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.364 -0.835 . . . . 0.0 111.279 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 17.6 mmt85 54.36 61.55 2.97 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-O 121.342 0.591 . . . . 0.0 110.102 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.7 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.583 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 120.96 0.41 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.16 96.96 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.566 -0.709 . . . . 0.0 110.868 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.0 p -66.24 -37.99 86.84 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.381 -0.824 . . . . 0.0 110.371 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -42.19 81.9 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.476 -0.765 . . . . 0.0 109.555 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.4 m -70.81 -32.08 69.03 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.659 -0.651 . . . . 0.0 109.72 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -63.69 -43.54 96.33 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.43 -37.89 93.09 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -59.37 -45.79 90.47 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.589 -0.948 . . . . 0.0 110.117 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.516 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.7 t -62.77 -40.06 96.1 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.503 -0.748 . . . . 0.0 109.633 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -40.93 96.59 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.457 -0.777 . . . . 0.0 109.179 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.83 -28.96 69.37 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.629 -0.669 . . . . 0.0 109.911 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.7 10.39 18.36 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.549 -0.719 . . . . 0.0 110.48 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 63.86 55.32 1.63 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.684 -0.635 . . . . 0.0 110.428 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 83.2 m -125.66 142.79 51.33 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.329 -0.857 . . . . 0.0 110.344 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.75 8.07 55.98 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.451 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 5.1 t80 -146.61 144.79 29.78 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.93 -1.335 . . . . 0.0 110.354 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -159.63 143.4 14.6 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.324 -0.86 . . . . 0.0 110.087 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.477 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 73.2 t -119.97 120.72 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.315 -0.866 . . . . 0.0 109.949 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.8 p -123.45 136.72 54.74 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.218 -0.926 . . . . 0.0 110.467 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 t -149.65 131.54 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.679 -0.638 . . . . 0.0 110.142 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -108.38 117.04 33.12 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.194 -0.941 . . . . 0.0 109.384 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -149.74 155.73 40.65 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.535 -0.728 . . . . 0.0 110.864 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.68 31.38 7.83 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.797 -0.565 . . . . 0.0 110.975 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.32 30.29 77.34 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -135.05 154.57 51.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.542 -0.975 . . . . 0.0 109.692 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.9 t -107.22 124.48 49.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.44 -0.788 . . . . 0.0 110.621 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -107.66 97.53 7.25 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 58.0 m -109.85 145.79 36.18 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.328 -0.857 . . . . 0.0 111.389 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.477 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -143.63 150.04 38.18 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.261 0.553 . . . . 0.0 110.212 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 33.7 t -132.91 126.07 31.29 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mp -135.5 -179.26 5.53 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.395 -0.815 . . . . 0.0 111.117 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.451 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 21.2 mmt180 54.0 57.32 6.08 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.367 0.603 . . . . 0.0 110.155 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 59.8 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.677 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 120.782 0.325 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.66 91.79 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.525 -0.734 . . . . 0.0 110.493 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.8 m -65.32 -39.27 92.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.381 -0.824 . . . . 0.0 110.342 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -41.84 91.05 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.39 -0.819 . . . . 0.0 109.281 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.0 m -66.44 -35.99 81.67 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.702 -0.624 . . . . 0.0 109.756 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -43.98 95.57 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.68 -0.637 . . . . 0.0 109.503 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.42 -37.69 92.93 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.73 -39.95 90.55 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.575 -0.956 . . . . 0.0 110.19 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.5 t -69.71 -40.47 76.27 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.459 -0.775 . . . . 0.0 109.15 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -41.76 98.27 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.575 -0.703 . . . . 0.0 109.227 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.41 -30.79 71.47 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.804 -0.56 . . . . 0.0 109.921 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -87.58 11.47 14.9 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.483 -0.761 . . . . 0.0 110.469 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 64.17 56.81 1.32 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.657 -0.652 . . . . 0.0 110.35 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.506 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 66.6 m -128.57 144.18 51.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.393 -0.817 . . . . 0.0 110.242 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.35 3.11 43.34 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.403 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 4.2 t80 -138.1 143.46 40.43 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.034 -1.274 . . . . 0.0 110.072 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -160.24 149.64 17.61 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.352 -0.842 . . . . 0.0 110.566 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 37.1 t -115.38 148.03 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.567 -0.708 . . . . 0.0 109.577 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -152.82 133.29 13.72 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.326 -0.859 . . . . 0.0 110.575 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -151.41 132.28 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.743 -0.598 . . . . 0.0 109.987 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -109.75 109.05 19.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.251 -0.906 . . . . 0.0 109.328 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -143.47 152.17 41.2 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.461 -0.774 . . . . 0.0 110.878 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 52.55 31.22 9.61 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.913 -0.492 . . . . 0.0 111.036 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.71 27.12 73.1 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -131.29 147.79 52.62 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.507 -0.996 . . . . 0.0 109.761 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.3 t -105.66 122.76 46.72 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.511 -0.743 . . . . 0.0 110.213 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -106.6 97.58 7.36 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.9 m -112.89 153.77 27.4 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.535 -0.728 . . . . 0.0 111.484 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -150.64 156.19 40.86 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 121.35 0.595 . . . . 0.0 110.129 179.595 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 22.0 t -133.3 129.21 37.27 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.671 -0.643 . . . . 0.0 109.398 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mp -137.56 177.46 7.85 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.281 -0.887 . . . . 0.0 111.2 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 6.7 mmt85 52.95 64.29 1.92 Allowed 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 121.363 0.601 . . . . 0.0 110.15 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 63.0 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 117.854 -1.07 . . . . 0.0 110.535 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.498 1.973 0 CA-C-O 120.898 0.38 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.01 95.99 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.502 -0.749 . . . . 0.0 110.084 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -68.08 -39.46 82.89 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.307 -0.87 . . . . 0.0 109.742 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -62.0 -41.61 98.25 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.62 -0.675 . . . . 0.0 109.973 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.1 m -69.48 -33.69 73.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.66 -0.65 . . . . 0.0 110.055 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -42.15 96.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.668 -0.645 . . . . 0.0 109.311 178.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.87 -39.15 96.33 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -63.29 -41.82 99.01 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.524 -0.986 . . . . 0.0 109.895 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.9 t -68.75 -42.57 77.35 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -38.33 90.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.756 -0.59 . . . . 0.0 109.413 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.27 72.56 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.693 -0.629 . . . . 0.0 109.733 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -87.76 6.61 34.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.439 -0.788 . . . . 0.0 110.538 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.3 ttm105 68.12 55.08 0.56 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.614 -0.679 . . . . 0.0 110.191 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.8 m -118.18 144.36 45.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.508 -0.745 . . . . 0.0 110.057 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.25 4.53 51.8 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 120.496 -0.859 . . . . 0.0 110.982 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.549 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 1.3 t80 -141.14 141.48 34.16 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.969 -1.313 . . . . 0.0 110.451 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -154.76 151.43 28.67 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.385 -0.822 . . . . 0.0 110.493 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.473 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 23.9 t -124.23 144.5 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -151.43 134.45 15.84 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.287 -0.883 . . . . 0.0 110.671 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.8 t -149.27 131.04 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.799 -0.563 . . . . 0.0 109.92 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.86 111.35 22.71 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.247 -0.908 . . . . 0.0 109.412 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -149.07 155.43 40.72 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.52 -0.738 . . . . 0.0 110.707 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 52.3 30.63 8.23 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.9 -0.5 . . . . 0.0 111.183 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.44 31.34 79.99 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.401 ' HA ' ' HD2' ' A' ' 26' ' ' ARG . 33.4 tpt85 -138.88 147.6 42.6 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.522 -0.987 . . . . 0.0 109.945 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.9 t -105.75 123.58 48.17 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.497 -0.752 . . . . 0.0 110.571 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -106.97 103.18 12.54 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.7 m -117.47 157.12 26.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.322 -0.861 . . . . 0.0 111.858 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.473 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 3.7 ttmm -150.33 151.95 33.69 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.31 0.576 . . . . 0.0 110.071 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 43.5 t -132.28 129.55 39.71 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 mt -141.78 -178.61 5.75 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.342 -0.848 . . . . 0.0 111.065 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.549 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 88.2 mmt-85 54.4 54.91 8.74 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 121.36 0.6 . . . . 0.0 110.176 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.2 m . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 118.289 -0.863 . . . . 0.0 110.398 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 120.891 0.377 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.39 -35.25 73.59 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.563 -0.711 . . . . 0.0 110.66 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.98 -41.12 82.83 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.331 -0.855 . . . . 0.0 110.266 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -68.84 -40.48 79.41 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.491 -0.756 . . . . 0.0 109.564 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.1 m -66.88 -34.27 77.42 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.671 -0.643 . . . . 0.0 110.273 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 18' ' ' TYR . 3.8 ttpt -63.68 -42.62 98.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.51 -0.744 . . . . 0.0 109.203 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.9 -38.46 96.13 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.324 -1.511 . . . . 0.0 109.324 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -64.45 -42.22 96.08 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.452 -1.028 . . . . 0.0 109.984 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 5.2 t -70.78 -41.21 72.0 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.562 -0.711 . . . . 0.0 109.606 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -38.45 88.96 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.4 -0.813 . . . . 0.0 109.389 178.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.47 -28.64 68.74 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.649 -0.657 . . . . 0.0 109.762 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.91 9.87 17.98 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.565 -0.709 . . . . 0.0 110.57 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 65.98 54.47 1.01 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.512 -0.742 . . . . 0.0 110.252 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.573 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 74.1 m -124.49 142.26 51.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.239 -0.913 . . . . 0.0 110.189 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.03 8.16 49.35 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.463 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 2.6 t80 -142.02 145.48 34.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.093 -1.239 . . . . 0.0 110.245 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 7' ' ' LYS . 6.3 p90 -157.94 149.27 21.36 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.377 -0.827 . . . . 0.0 110.503 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.41 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 39.2 t -122.19 110.97 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.315 -0.866 . . . . 0.0 109.9 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.3 p -120.42 130.64 54.43 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.335 -0.853 . . . . 0.0 110.468 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 t -147.49 132.59 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.581 -0.7 . . . . 0.0 110.014 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.16 119.34 39.21 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.138 -0.976 . . . . 0.0 109.334 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -126.81 122.61 35.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.379 -0.826 . . . . 0.0 111.55 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 52.55 30.94 9.17 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.842 -0.536 . . . . 0.0 111.569 178.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.22 6.24 69.13 Favored Glycine 0 N--CA 1.495 2.62 0 C-N-CA 120.3 -0.952 . . . . 0.0 110.762 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.71 148.16 26.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.116 -1.226 . . . . 0.0 109.21 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.8 t -109.71 122.01 46.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.3 -0.875 . . . . 0.0 111.296 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -108.5 94.66 5.18 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.8 m -109.42 151.05 27.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.343 -0.848 . . . . 0.0 111.488 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -153.0 153.67 33.4 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.372 0.606 . . . . 0.0 109.974 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 48.9 t -132.94 129.25 38.04 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.56 -0.713 . . . . 0.0 109.376 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -138.17 178.62 6.99 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.442 -0.786 . . . . 0.0 111.082 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 20.0 mmt180 54.16 61.87 2.85 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.378 0.609 . . . . 0.0 110.16 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.1 m . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.501 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.879 0 CA-C-O 120.964 0.411 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.11 -41.97 93.73 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.56 -0.712 . . . . 0.0 110.957 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.4 p -68.62 -36.09 78.18 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.23 -0.918 . . . . 0.0 110.24 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -66.91 -42.55 85.25 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.372 -0.83 . . . . 0.0 109.269 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.9 m -68.88 -31.46 70.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.767 -0.583 . . . . 0.0 109.949 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 10.5 tttt -63.65 -44.15 94.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.495 -0.753 . . . . 0.0 109.153 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.67 -37.82 93.93 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.79 -41.33 97.6 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.535 -0.979 . . . . 0.0 110.222 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -68.48 -39.4 81.36 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.392 -0.818 . . . . 0.0 109.307 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -41.04 97.16 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.505 -0.747 . . . . 0.0 109.021 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.57 -29.63 70.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.677 -0.64 . . . . 0.0 109.806 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.96 8.84 18.89 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.563 -0.71 . . . . 0.0 110.468 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 65.48 54.01 1.19 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.604 -0.685 . . . . 0.0 110.086 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 86.1 m -124.6 143.71 50.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.512 -0.743 . . . . 0.0 110.405 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.59 3.23 53.42 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -142.81 142.94 31.96 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.944 -1.327 . . . . 0.0 110.461 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.46 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 3.0 p90 -155.88 151.99 27.77 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.363 -0.836 . . . . 0.0 110.327 179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.482 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 33.1 t -120.38 148.46 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.59 -0.694 . . . . 0.0 109.595 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.1 p -152.82 132.55 13.15 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.363 -0.835 . . . . 0.0 110.558 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 t -150.55 132.32 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.655 -0.653 . . . . 0.0 109.932 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.34 127.52 53.95 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.061 -1.024 . . . . 0.0 109.737 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -142.06 130.3 22.23 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.36 -0.838 . . . . 0.0 111.474 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.78 29.84 6.28 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.938 -0.476 . . . . 0.0 111.694 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.24 18.1 63.34 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -116.62 144.15 44.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.272 -1.134 . . . . 0.0 109.375 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -107.69 123.48 48.58 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.292 -0.88 . . . . 0.0 111.102 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -107.78 100.16 9.56 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.4 m -114.49 153.63 29.65 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.294 -0.879 . . . . 0.0 111.719 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -147.02 158.12 43.83 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.356 0.598 . . . . 0.0 109.991 179.84 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.486 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 16.2 t -139.88 126.17 20.07 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.3 mt -138.54 -178.93 5.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.451 -0.78 . . . . 0.0 111.1 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 54.16 57.46 5.89 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 121.353 0.597 . . . . 0.0 109.942 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.1 m . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.695 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.495 1.793 0 CA-C-O 121.257 0.551 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.35 -49.94 71.9 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.441 -0.787 . . . . 0.0 110.478 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.36 76.19 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.705 -0.622 . . . . 0.0 110.752 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.6 m -63.54 -40.75 97.81 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.436 -0.79 . . . . 0.0 109.995 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 ttp-105 -67.73 -40.49 84.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.418 -0.801 . . . . 0.0 109.142 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.7 m -67.08 -36.21 81.49 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.736 -0.602 . . . . 0.0 109.934 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.508 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 2.4 ttmt -62.36 -41.2 98.42 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.597 -0.689 . . . . 0.0 109.774 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.08 -37.34 87.19 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -61.99 -41.21 97.79 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.506 -0.997 . . . . 0.0 110.248 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -67.52 -42.53 82.63 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.463 -0.773 . . . . 0.0 109.586 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -40.0 94.58 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.469 -0.769 . . . . 0.0 109.247 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.67 70.84 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.748 -0.595 . . . . 0.0 109.721 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -88.0 9.84 21.02 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.578 -0.701 . . . . 0.0 110.607 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 65.45 53.96 1.2 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.547 -0.721 . . . . 0.0 110.182 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 85.7 m -122.68 145.35 48.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.322 -0.861 . . . . 0.0 110.225 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.67 -6.72 49.51 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 120.405 -0.902 . . . . 0.0 110.868 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.436 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 0.8 OUTLIER -133.46 141.58 47.88 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.931 -1.334 . . . . 0.0 110.701 -179.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 2.0 p90 -154.4 148.84 26.18 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.455 -0.778 . . . . 0.0 110.201 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 22.5 t -119.22 147.2 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.579 -0.701 . . . . 0.0 109.544 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -152.24 128.6 10.6 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.44 -0.787 . . . . 0.0 110.509 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 t -148.51 130.44 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.607 -0.683 . . . . 0.0 110.104 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tt -108.42 124.44 50.4 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.155 -0.966 . . . . 0.0 109.499 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -145.05 136.51 25.22 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.473 -0.767 . . . . 0.0 111.208 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 53.49 29.78 9.53 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.742 -0.599 . . . . 0.0 111.406 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.06 19.3 75.17 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.83 144.79 45.06 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.354 -1.086 . . . . 0.0 109.325 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -107.21 124.96 50.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.309 -0.87 . . . . 0.0 111.0 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -109.26 96.3 6.2 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.2 m -111.73 153.85 25.88 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.335 -0.853 . . . . 0.0 111.487 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.539 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -152.08 152.85 32.89 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.253 0.549 . . . . 0.0 110.129 179.691 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 32.3 t -135.08 129.84 34.63 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.5 mt -141.05 -176.71 4.79 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.51 -0.744 . . . . 0.0 110.757 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.436 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER 54.17 53.99 10.23 Favored 'General case' 0 N--CA 1.5 2.075 0 CA-C-O 121.317 0.579 . . . . 0.0 110.109 -179.613 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 58.2 m . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 117.837 -1.077 . . . . 0.0 110.762 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 120.938 0.399 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.2 t -57.65 -37.99 74.29 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.561 -0.712 . . . . 0.0 110.648 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.86 -35.69 81.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.363 -0.836 . . . . 0.0 110.53 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.1 m -70.72 -38.38 73.6 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.355 -0.84 . . . . 0.0 110.253 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -69.26 -38.97 78.7 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.536 -0.727 . . . . 0.0 109.746 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.1 m -68.84 -34.69 75.9 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.665 -0.647 . . . . 0.0 110.204 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -64.85 -40.61 95.43 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.437 -0.79 . . . . 0.0 109.075 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.59 -41.28 99.55 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -61.41 -46.82 88.55 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.651 -0.911 . . . . 0.0 109.562 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -65.07 -37.93 89.13 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.662 -0.649 . . . . 0.0 109.371 178.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -41.14 97.14 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.621 -0.674 . . . . 0.0 109.587 178.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.86 86.29 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.863 -0.523 . . . . 0.0 110.193 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 8.9 ttt180 -80.69 4.88 17.3 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.415 -0.803 . . . . 0.0 110.786 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 66.44 49.12 1.43 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.454 -0.779 . . . . 0.0 110.507 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.563 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 78.4 m -106.7 146.32 30.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.445 -0.784 . . . . 0.0 110.246 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.19 -0.71 54.34 Favored Glycine 0 N--CA 1.49 2.293 0 C-N-CA 120.481 -0.866 . . . . 0.0 110.943 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.56 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 10.9 t80 -138.71 147.86 43.24 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.834 -1.392 . . . . 0.0 110.827 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -154.45 146.77 23.88 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.577 -0.702 . . . . 0.0 109.929 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.481 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 60.9 t -123.73 110.18 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.389 -0.819 . . . . 0.0 109.737 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 82.7 p -118.49 136.24 53.92 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.238 -0.914 . . . . 0.0 110.656 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.62 128.4 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.692 -0.63 . . . . 0.0 110.027 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.64 110.1 21.05 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.265 -0.897 . . . . 0.0 109.458 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -149.34 158.15 43.93 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.547 -0.721 . . . . 0.0 110.486 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 52.88 30.18 8.81 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.735 -0.603 . . . . 0.0 110.969 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.66 30.68 78.36 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.442 ' HD2' ' CZ ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -138.46 149.06 45.07 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.566 -0.961 . . . . 0.0 109.692 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.1 t -105.64 122.53 46.24 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.388 -0.82 . . . . 0.0 110.761 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.442 ' CZ ' ' HD2' ' A' ' 26' ' ' ARG . 76.0 m-85 -106.32 98.4 8.09 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.1 m -109.76 152.57 25.5 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.505 -0.747 . . . . 0.0 111.581 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.481 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -149.57 152.3 35.28 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.232 0.539 . . . . 0.0 110.028 179.803 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.563 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 48.6 t -132.9 127.58 34.69 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.562 -0.711 . . . . 0.0 109.252 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.7 mt -138.0 -176.57 4.48 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.454 -0.779 . . . . 0.0 110.898 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 0.5 OUTLIER 55.17 47.55 21.5 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.723 -0.61 . . . . 0.0 110.29 -179.76 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 60.1 m . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.824 -1.084 . . . . 0.0 110.746 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 120.861 0.363 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.1 t -57.43 -38.99 75.29 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.546 -0.721 . . . . 0.0 110.775 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.58 93.87 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.392 -0.817 . . . . 0.0 110.505 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 t -66.21 -39.3 89.54 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.361 -0.837 . . . . 0.0 109.77 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.7 mtt-85 -63.07 -40.74 98.58 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.61 -0.681 . . . . 0.0 109.962 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.7 m -66.77 -35.94 81.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.49 -0.756 . . . . 0.0 110.283 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -61.9 -41.89 98.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.533 -0.73 . . . . 0.0 109.329 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.36 -39.78 96.06 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -63.18 -42.12 99.31 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.505 -0.997 . . . . 0.0 109.85 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.467 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -68.16 -41.89 80.88 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.537 -0.727 . . . . 0.0 109.336 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -39.4 93.64 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.341 -0.85 . . . . 0.0 109.233 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.73 -29.99 71.15 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.657 -0.652 . . . . 0.0 109.697 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.2 mtt-85 -87.99 10.05 20.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.648 -0.657 . . . . 0.0 110.281 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.35 55.82 1.37 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.641 -0.662 . . . . 0.0 110.434 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 79.4 m -123.24 146.21 48.02 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.384 -0.822 . . . . 0.0 110.352 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.11 -2.28 51.55 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.536 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.4 t80 -138.01 143.17 40.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.94 -1.33 . . . . 0.0 110.464 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -156.74 146.14 20.53 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.342 -0.848 . . . . 0.0 110.128 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 25.1 t -115.95 150.75 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.67 -0.644 . . . . 0.0 109.54 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.4 p -155.32 135.09 12.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.355 -0.841 . . . . 0.0 110.774 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -151.85 130.54 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.783 -0.573 . . . . 0.0 109.712 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -107.87 115.91 30.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.065 -1.022 . . . . 0.0 109.893 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -137.15 137.92 39.71 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.561 -0.712 . . . . 0.0 111.053 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 52.78 32.24 11.88 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.805 -0.559 . . . . 0.0 111.307 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.14 17.75 80.19 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.74 146.56 44.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.309 -1.112 . . . . 0.0 109.449 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -106.81 124.81 50.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.401 -0.812 . . . . 0.0 111.218 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -108.51 96.16 6.15 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.4 m -115.17 157.07 24.15 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.263 -0.898 . . . . 0.0 111.794 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.457 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -149.31 153.61 37.75 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.335 0.588 . . . . 0.0 109.897 179.782 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 21.6 t -131.02 128.08 39.62 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.529 -0.732 . . . . 0.0 109.424 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mt -138.72 -177.35 4.83 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.475 -0.766 . . . . 0.0 110.987 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.536 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 9.5 mmt180 54.34 52.62 12.18 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.293 0.568 . . . . 0.0 110.239 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 56.9 m . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.656 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 120.861 0.362 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 t -57.53 -44.33 85.04 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.375 -0.828 . . . . 0.0 110.174 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.63 -38.37 87.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.61 -0.681 . . . . 0.0 110.267 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.0 m -63.97 -41.07 97.66 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.503 -0.748 . . . . 0.0 110.113 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -65.73 -41.79 91.78 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.506 -0.746 . . . . 0.0 109.328 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.5 m -64.37 -35.56 81.29 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.79 -0.569 . . . . 0.0 110.142 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.489 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 9.6 ttmm -62.14 -43.79 98.05 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.618 -0.676 . . . . 0.0 109.379 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.31 -37.68 94.2 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -61.09 -40.91 95.48 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.561 -0.964 . . . . 0.0 110.146 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -69.5 -40.32 77.08 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.424 -0.797 . . . . 0.0 109.465 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -38.91 92.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.503 -0.748 . . . . 0.0 109.061 178.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.04 -27.98 67.84 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.825 -0.547 . . . . 0.0 109.673 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 1.9 mmm180 -88.34 9.25 23.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.436 -0.79 . . . . 0.0 110.363 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.417 ' HB3' ' O ' ' A' ' 13' ' ' ARG . 26.6 ttp-105 63.54 58.13 1.37 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.636 -0.665 . . . . 0.0 109.945 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 79.9 m -128.95 146.02 51.07 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.537 -0.727 . . . . 0.0 110.295 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.82 8.35 46.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.503 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 2.4 t80 -145.64 144.11 30.24 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.934 -1.333 . . . . 0.0 110.425 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.489 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 2.6 p90 -160.08 149.0 17.35 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.423 -0.798 . . . . 0.0 110.25 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 25.5 t -116.62 147.24 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.543 -0.723 . . . . 0.0 109.508 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -151.49 131.56 13.47 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.311 -0.868 . . . . 0.0 110.553 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -148.61 126.45 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.578 -0.701 . . . . 0.0 109.988 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -108.69 116.81 32.68 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.286 -0.884 . . . . 0.0 109.487 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -148.33 147.26 29.09 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.471 -0.768 . . . . 0.0 111.124 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 51.06 33.04 8.43 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.897 -0.502 . . . . 0.0 111.315 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.64 28.17 73.33 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 28' ' ' TYR . 2.7 tpt180 -129.25 142.17 50.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.587 -0.949 . . . . 0.0 109.449 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.0 t -107.54 122.73 47.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.387 -0.821 . . . . 0.0 110.821 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.421 ' CZ ' ' HG2' ' A' ' 26' ' ' ARG . 97.5 m-85 -108.39 95.86 5.96 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.5 m -109.75 159.13 17.43 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.493 -0.755 . . . . 0.0 111.514 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.7 OUTLIER -156.65 150.46 24.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.317 0.58 . . . . 0.0 110.158 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 49.5 t -131.32 126.39 35.18 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.567 -0.708 . . . . 0.0 109.093 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 mp -137.6 -177.99 5.04 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.465 -0.772 . . . . 0.0 111.297 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.503 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 16.6 mmt180 53.63 59.29 4.42 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 121.364 0.602 . . . . 0.0 109.964 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 63.1 m . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.624 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 121.271 0.558 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 t -81.33 -38.23 27.04 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.401 -0.812 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.7 85.83 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.464 -0.773 . . . . 0.0 110.565 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 p -66.06 -39.26 89.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.35 -0.844 . . . . 0.0 109.916 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -61.63 -42.44 98.9 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.605 -0.684 . . . . 0.0 109.652 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.1 m -65.94 -36.66 83.97 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.412 -0.805 . . . . 0.0 109.972 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -60.69 -42.91 98.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.701 -0.624 . . . . 0.0 109.556 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.1 -38.16 93.73 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -64.06 -40.01 95.32 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.537 -0.978 . . . . 0.0 110.091 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.0 t -71.69 -39.76 70.0 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.522 -0.736 . . . . 0.0 109.454 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -39.29 89.42 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.495 -0.753 . . . . 0.0 109.181 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.24 -29.06 69.23 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.691 -0.63 . . . . 0.0 109.988 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -88.52 11.01 18.33 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.473 -0.767 . . . . 0.0 110.596 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? 65.07 57.18 0.97 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.525 -0.734 . . . . 0.0 110.415 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 81.0 m -128.62 146.77 50.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.371 -0.831 . . . . 0.0 110.185 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.63 -9.85 39.59 Favored Glycine 0 N--CA 1.492 2.39 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.039 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -129.09 142.98 50.72 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.87 -1.37 . . . . 0.0 110.643 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -157.11 145.37 19.44 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.449 -0.782 . . . . 0.0 110.153 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.545 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 27.1 t -115.42 150.74 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.55 -0.719 . . . . 0.0 109.683 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.2 p -153.49 135.67 14.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.39 -0.819 . . . . 0.0 110.606 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.6 t -150.71 130.37 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.693 -0.63 . . . . 0.0 109.877 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -109.03 111.85 23.72 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.137 -0.977 . . . . 0.0 109.63 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -145.79 151.74 38.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.577 -0.702 . . . . 0.0 110.678 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 53.09 28.55 6.98 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.893 -0.505 . . . . 0.0 111.44 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.72 26.37 74.5 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.86 147.7 52.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.496 -1.002 . . . . 0.0 109.585 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 t -105.65 121.34 43.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.384 -0.823 . . . . 0.0 110.671 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -106.25 100.07 9.62 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.4 m -117.83 160.65 21.02 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.308 -0.87 . . . . 0.0 111.74 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.545 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 7.2 mttt -151.37 157.22 42.16 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.393 0.616 . . . . 0.0 110.095 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.2 t -135.45 128.79 32.14 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.67 -0.644 . . . . 0.0 109.457 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 mt -140.96 -177.71 5.22 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.458 -0.776 . . . . 0.0 110.943 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.6 mmm-85 55.19 56.36 6.56 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.818 -0.552 . . . . 0.0 110.004 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.2 m . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 117.879 -1.058 . . . . 0.0 110.374 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 121.468 0.651 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.55 -38.29 77.39 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.466 -0.771 . . . . 0.0 110.277 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.5 97.05 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.587 -0.696 . . . . 0.0 111.105 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.7 p -69.21 -36.64 77.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.224 -0.923 . . . . 0.0 110.434 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -72.47 -39.15 67.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.511 -0.743 . . . . 0.0 109.579 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -68.39 -36.23 78.84 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.638 -0.664 . . . . 0.0 109.79 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -62.65 -41.64 99.16 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.711 -0.618 . . . . 0.0 109.391 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.68 -39.23 96.54 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.93 -36.44 81.39 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.553 -0.969 . . . . 0.0 110.329 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.445 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.7 t -70.9 -40.49 72.14 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.486 -0.759 . . . . 0.0 109.443 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -41.02 98.32 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.48 -0.762 . . . . 0.0 109.28 178.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.54 -29.06 70.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.619 -0.676 . . . . 0.0 109.845 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -87.69 10.47 18.05 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.532 -0.73 . . . . 0.0 110.52 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.71 56.65 1.51 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.525 -0.735 . . . . 0.0 110.224 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 77.4 m -125.88 144.28 50.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.4 -0.813 . . . . 0.0 110.466 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.24 -0.87 50.95 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.485 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 27.5 t80 -137.01 149.03 47.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.933 -1.333 . . . . 0.0 110.153 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -157.31 156.95 33.26 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.468 -0.77 . . . . 0.0 110.372 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' HB ' ' CB ' ' A' ' 30' ' ' LYS . 29.8 t -129.05 144.23 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.67 -0.644 . . . . 0.0 109.381 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.5 p -150.84 132.69 15.06 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.336 -0.852 . . . . 0.0 110.42 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.3 t -150.2 130.7 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.565 -0.71 . . . . 0.0 110.043 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.92 115.39 29.98 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.189 -0.944 . . . . 0.0 109.435 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -131.24 129.57 41.77 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.389 -0.819 . . . . 0.0 111.574 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.73 30.81 11.74 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.747 -0.596 . . . . 0.0 111.566 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.08 10.12 81.14 Favored Glycine 0 N--CA 1.495 2.567 0 C-N-CA 120.306 -0.949 . . . . 0.0 110.88 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -110.81 144.27 40.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.199 -1.177 . . . . 0.0 109.356 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.3 t -107.53 122.81 47.4 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.33 -0.856 . . . . 0.0 111.326 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -107.8 98.58 8.15 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.8 m -111.94 153.89 26.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.422 -0.799 . . . . 0.0 111.55 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' CB ' ' HB ' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -150.41 152.81 34.9 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.415 0.626 . . . . 0.0 110.248 179.631 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 20.7 t -130.79 127.45 38.71 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mp -137.59 -177.89 4.99 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.393 -0.817 . . . . 0.0 111.052 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.485 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 7.1 mmt-85 54.39 53.22 11.15 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-O 121.325 0.583 . . . . 0.0 110.239 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 56.3 m . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 117.796 -1.097 . . . . 0.0 110.655 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 120.976 0.417 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 t -59.76 -44.58 93.78 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.551 -0.718 . . . . 0.0 110.03 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.55 -35.24 79.85 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.542 -0.723 . . . . 0.0 110.449 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 t -69.12 -37.73 78.5 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.416 -0.802 . . . . 0.0 110.216 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.6 -40.01 80.63 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.338 -0.851 . . . . 0.0 109.711 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.4 m -66.99 -35.62 80.36 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.632 -0.668 . . . . 0.0 109.867 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -61.77 -42.84 99.5 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.599 -0.688 . . . . 0.0 109.252 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.66 -39.79 98.35 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -60.08 -46.42 89.62 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.533 -0.981 . . . . 0.0 109.855 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.0 t -66.33 -40.34 89.81 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.712 -0.617 . . . . 0.0 109.586 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.34 -37.76 86.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.391 -0.818 . . . . 0.0 109.436 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.36 72.13 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.556 -0.715 . . . . 0.0 110.057 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.07 10.54 18.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.393 -0.817 . . . . 0.0 110.482 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.59 58.69 1.01 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.599 -0.688 . . . . 0.0 110.555 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.531 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 80.7 m -122.27 143.29 49.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.255 -0.903 . . . . 0.0 109.835 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.69 7.22 57.58 Favored Glycine 0 N--CA 1.492 2.38 0 C-N-CA 120.367 -0.921 . . . . 0.0 110.955 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.49 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 2.1 t80 -148.53 144.36 27.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.897 -1.355 . . . . 0.0 110.437 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -159.8 151.08 19.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.438 -0.789 . . . . 0.0 110.266 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.0 t -118.92 147.07 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.608 -0.683 . . . . 0.0 109.634 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.5 p -152.48 132.33 13.28 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.373 -0.829 . . . . 0.0 110.378 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.3 t -150.73 131.23 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.707 -0.621 . . . . 0.0 110.188 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.71 126.57 53.14 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.193 -0.942 . . . . 0.0 109.726 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -142.26 127.1 18.2 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.376 -0.828 . . . . 0.0 111.213 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 53.78 26.52 6.1 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.866 -0.521 . . . . 0.0 111.831 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.39 12.37 65.17 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.57 136.42 50.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.276 -1.132 . . . . 0.0 109.171 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 t -104.99 124.26 49.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.318 -0.864 . . . . 0.0 111.141 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -107.39 97.73 7.45 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.6 m -113.16 150.97 31.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.276 -0.89 . . . . 0.0 111.531 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -149.68 154.14 38.1 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.295 0.569 . . . . 0.0 110.093 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 49.6 t -133.34 129.15 37.1 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.525 -0.734 . . . . 0.0 109.547 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp -138.26 -178.84 5.46 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.47 -0.769 . . . . 0.0 111.094 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 11.5 mmt180 53.56 53.63 11.26 Favored 'General case' 0 N--CA 1.501 2.096 0 CA-C-O 121.327 0.584 . . . . 0.0 110.412 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 63.7 m . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.457 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 120.898 0.38 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.8 t -59.37 -41.85 90.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.502 -0.749 . . . . 0.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.73 -40.55 92.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.633 -0.667 . . . . 0.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -64.87 -38.51 91.21 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.451 -0.78 . . . . 0.0 110.281 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -40.84 88.56 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.612 -0.68 . . . . 0.0 109.558 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.4 m -64.86 -37.64 88.31 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.673 -0.642 . . . . 0.0 110.309 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -61.85 -42.7 99.36 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.555 -0.716 . . . . 0.0 109.546 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.64 -38.32 95.52 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -63.03 -44.71 95.18 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.463 -1.022 . . . . 0.0 109.969 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.476 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.7 t -65.78 -39.41 90.96 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.523 -0.736 . . . . 0.0 109.656 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -39.82 89.38 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.335 -0.853 . . . . 0.0 109.216 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.51 -25.57 65.91 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.752 -0.592 . . . . 0.0 109.766 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -89.39 8.58 30.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.539 -0.726 . . . . 0.0 110.521 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 7.1 tpm_? 64.18 56.5 1.35 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.545 -0.722 . . . . 0.0 110.086 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 78.8 m -125.28 145.59 49.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.445 -0.784 . . . . 0.0 110.182 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.04 -0.78 51.56 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.535 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.2 t80 -139.81 142.95 36.64 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.86 -1.376 . . . . 0.0 110.687 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -156.16 148.48 23.52 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.409 -0.807 . . . . 0.0 110.207 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 34.1 t -119.27 148.19 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.596 -0.69 . . . . 0.0 109.482 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.8 p -151.62 134.94 16.02 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.329 -0.857 . . . . 0.0 110.679 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -151.54 128.76 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.645 -0.659 . . . . 0.0 109.94 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 tt -109.16 110.05 21.18 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -148.38 157.3 43.39 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.501 -0.749 . . . . 0.0 110.703 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 ttt-85 52.13 31.41 8.95 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.832 -0.542 . . . . 0.0 111.022 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.91 32.29 83.68 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -138.99 149.95 45.3 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.542 -0.975 . . . . 0.0 109.974 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -106.89 122.58 46.69 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.575 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -107.6 101.0 10.36 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.6 m -117.44 154.91 30.57 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.385 -0.822 . . . . 0.0 111.431 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.552 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -148.59 151.61 35.35 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.335 0.588 . . . . 0.0 109.931 179.628 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 37.3 t -132.77 127.44 34.63 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.552 -0.717 . . . . 0.0 109.342 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.4 mt -139.66 -174.8 3.99 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.48 -0.762 . . . . 0.0 110.794 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.535 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 16.3 mmt85 55.83 49.16 16.64 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-O 121.37 0.605 . . . . 0.0 109.994 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 46.3 m . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.643 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 120.867 0.365 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.5 t -59.91 -41.58 92.0 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.426 -0.796 . . . . 0.0 110.614 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.91 93.03 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.518 -0.739 . . . . 0.0 110.444 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m -64.61 -39.34 93.54 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.381 -0.824 . . . . 0.0 110.172 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -67.02 -40.65 87.32 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.408 -0.808 . . . . 0.0 109.556 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.9 m -65.18 -37.47 87.45 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.733 -0.605 . . . . 0.0 110.1 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -61.16 -42.51 98.69 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.595 -0.691 . . . . 0.0 109.4 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.26 -38.59 95.29 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.206 -1.558 . . . . 0.0 109.206 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.19 -41.64 98.54 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.506 -0.997 . . . . 0.0 110.239 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.479 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -70.43 -40.11 73.98 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.525 -0.734 . . . . 0.0 109.121 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -64.38 -39.82 94.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.567 -0.708 . . . . 0.0 109.181 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.89 73.21 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.663 -0.648 . . . . 0.0 110.108 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.12 10.19 17.5 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.394 -0.816 . . . . 0.0 110.682 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 64.64 55.43 1.29 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.62 -0.675 . . . . 0.0 110.328 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.479 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 82.5 m -121.01 143.83 48.84 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.302 -0.874 . . . . 0.0 110.277 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.68 5.11 54.02 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.414 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 2.3 t80 -144.13 142.71 30.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.977 -1.308 . . . . 0.0 110.5 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -158.53 148.63 19.78 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.34 -0.85 . . . . 0.0 110.32 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.8 t -117.08 149.32 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.621 -0.674 . . . . 0.0 109.553 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.4 p -153.02 133.56 13.72 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.396 -0.815 . . . . 0.0 110.629 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -151.37 128.91 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.626 -0.671 . . . . 0.0 109.896 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.06 109.82 20.93 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.228 -0.92 . . . . 0.0 109.331 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -146.52 154.56 41.69 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.478 -0.764 . . . . 0.0 110.952 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 52.72 29.87 8.05 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.914 -0.491 . . . . 0.0 111.361 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.58 30.51 74.95 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -137.18 149.38 47.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.513 -0.993 . . . . 0.0 109.929 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.6 t -107.33 121.41 44.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.429 -0.794 . . . . 0.0 110.616 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -106.77 99.72 9.27 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.5 m -114.42 156.97 23.52 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.351 -0.843 . . . . 0.0 111.445 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.8 154.36 38.3 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.287 0.565 . . . . 0.0 110.164 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.458 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 27.9 t -135.07 128.88 33.08 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.668 -0.645 . . . . 0.0 109.293 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.6 mt -141.65 -179.12 5.98 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.315 -0.866 . . . . 0.0 111.089 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.414 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 4.6 mmp_? 54.53 56.2 7.1 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.435 0.636 . . . . 0.0 110.177 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 59.6 m . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.753 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 120.979 0.418 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.1 -42.6 99.38 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.588 -0.695 . . . . 0.0 109.778 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.19 86.66 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.556 -0.715 . . . . 0.0 110.211 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 t -65.84 -39.77 91.13 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.333 -0.854 . . . . 0.0 110.122 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -68.34 -40.64 81.49 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.544 -0.722 . . . . 0.0 109.801 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -65.45 -35.8 82.0 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.674 -0.641 . . . . 0.0 110.551 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -63.78 -41.99 97.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.325 -0.859 . . . . 0.0 109.343 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.33 -39.27 96.84 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -61.42 -47.6 85.05 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.503 -0.998 . . . . 0.0 109.8 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.8 t -63.49 -40.85 98.19 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.606 -0.684 . . . . 0.0 109.661 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -38.35 87.85 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.39 -0.819 . . . . 0.0 109.459 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.14 -34.9 77.26 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.628 -0.67 . . . . 0.0 109.728 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' A' ' 14' ' ' ARG . 5.2 ttt180 -83.14 6.15 20.2 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.559 -0.713 . . . . 0.0 110.406 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 2.9 tpp180 69.15 49.29 0.63 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.607 -0.683 . . . . 0.0 110.408 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 83.1 m -113.04 148.37 35.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.357 -0.839 . . . . 0.0 110.251 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.04 -7.36 41.2 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.41 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.9 t80 -131.43 142.56 50.04 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.875 -1.368 . . . . 0.0 110.47 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -157.85 147.01 19.61 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.363 -0.835 . . . . 0.0 110.177 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.8 t -118.47 148.9 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.572 -0.705 . . . . 0.0 109.592 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -152.49 132.94 13.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.326 -0.859 . . . . 0.0 110.359 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -151.49 129.85 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.535 -0.728 . . . . 0.0 110.153 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -107.89 109.79 21.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.197 -0.94 . . . . 0.0 109.339 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -138.47 147.72 43.55 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.47 -0.769 . . . . 0.0 110.893 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 53.34 30.44 10.23 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.803 -0.561 . . . . 0.0 111.141 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.09 24.51 75.87 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -126.43 149.23 49.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.505 -0.997 . . . . 0.0 109.454 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -106.59 123.58 48.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.395 -0.816 . . . . 0.0 110.968 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -106.99 96.51 6.48 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.8 m -112.22 151.96 28.97 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.36 -0.838 . . . . 0.0 111.337 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.4 154.18 39.57 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.299 0.571 . . . . 0.0 110.197 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 38.2 t -136.16 131.11 34.25 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.552 -0.717 . . . . 0.0 109.384 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.0 mt -142.49 -178.43 5.76 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.418 -0.801 . . . . 0.0 110.86 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.41 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 3.3 mmm180 54.14 53.98 10.26 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 121.245 0.545 . . . . 0.0 110.188 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 62.4 m . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.548 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 120.811 0.339 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 t -57.29 -38.91 74.69 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.45 -0.781 . . . . 0.0 110.653 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.94 96.44 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.571 -0.705 . . . . 0.0 110.366 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 m -64.64 -40.02 94.73 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.548 -0.72 . . . . 0.0 110.347 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -65.69 -40.38 92.24 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.456 -0.778 . . . . 0.0 109.421 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.6 m -72.18 -33.51 67.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.586 -0.696 . . . . 0.0 109.589 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -65.07 -40.56 94.86 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.623 -0.673 . . . . 0.0 109.228 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.5 -40.62 98.96 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.78 -43.89 97.62 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.638 -0.919 . . . . 0.0 109.555 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 7.9 t -66.19 -41.07 90.74 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.612 -0.68 . . . . 0.0 109.444 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -39.7 94.3 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.651 -0.656 . . . . 0.0 109.322 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.24 -35.27 78.44 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.634 -0.666 . . . . 0.0 109.793 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -80.75 6.49 12.78 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.526 -0.734 . . . . 0.0 110.458 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.77 49.1 0.72 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.721 -0.612 . . . . 0.0 110.433 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.563 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 76.7 m -115.71 144.92 43.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.357 -0.839 . . . . 0.0 110.301 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.48 -6.97 49.75 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.188 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.494 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.1 t80 -130.06 144.65 51.46 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.921 -1.341 . . . . 0.0 110.604 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -152.23 145.35 24.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.493 -0.755 . . . . 0.0 110.245 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.2 t -121.4 110.39 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.598 -0.689 . . . . 0.0 109.702 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.4 p -119.17 139.25 52.14 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.338 -0.851 . . . . 0.0 110.786 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t -149.57 145.75 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.609 -0.682 . . . . 0.0 110.203 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -124.46 125.18 43.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.276 -0.89 . . . . 0.0 109.568 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -148.09 134.51 19.63 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.401 -0.812 . . . . 0.0 111.021 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 54.48 25.92 6.63 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.959 -0.463 . . . . 0.0 111.594 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.27 15.72 68.52 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -115.7 140.33 49.3 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.197 -1.178 . . . . 0.0 109.433 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -107.54 122.63 47.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.393 -0.817 . . . . 0.0 110.893 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 45.4 m-85 -107.32 103.13 12.41 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.6 m -111.45 152.54 27.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.355 -0.841 . . . . 0.0 111.736 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.4 155.13 38.0 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.392 0.615 . . . . 0.0 110.12 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.563 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 46.2 t -134.93 133.02 39.15 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.623 -0.673 . . . . 0.0 109.674 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.5 mt -141.89 -178.83 5.87 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.493 -0.755 . . . . 0.0 110.743 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 15.8 mmt180 53.89 58.84 4.71 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.403 0.621 . . . . 0.0 109.948 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 60.4 m . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.498 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.496 1.871 0 CA-C-O 120.889 0.376 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.2 t -58.71 -43.65 90.15 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.467 -0.77 . . . . 0.0 109.947 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.44 -37.05 77.12 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.594 -0.691 . . . . 0.0 110.243 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -63.62 -42.48 98.19 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.579 -0.701 . . . . 0.0 110.072 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -41.11 81.28 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.543 -0.723 . . . . 0.0 109.55 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.3 m -67.41 -33.34 74.98 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.735 -0.603 . . . . 0.0 109.695 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -62.71 -44.29 96.6 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.35 -40.1 98.61 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -61.44 -43.97 97.94 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.543 -0.975 . . . . 0.0 109.946 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 3.3 t -68.89 -40.96 78.91 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.757 -0.589 . . . . 0.0 109.585 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -37.04 82.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.328 -0.857 . . . . 0.0 109.434 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.39 -31.62 72.31 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.518 -0.739 . . . . 0.0 109.616 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.07 8.78 28.06 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.544 -0.723 . . . . 0.0 110.434 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 65.81 55.04 1.0 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.665 -0.647 . . . . 0.0 110.48 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 76.8 m -117.96 143.95 45.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.443 -0.786 . . . . 0.0 110.117 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.48 2.55 49.89 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.469 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 3.8 t80 -137.2 142.81 42.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.019 -1.283 . . . . 0.0 110.355 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -155.2 140.58 17.72 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.47 -0.769 . . . . 0.0 109.928 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.621 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 51.0 t -117.02 109.66 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.378 -0.826 . . . . 0.0 110.009 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.1 p -117.98 132.52 56.38 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.343 -0.848 . . . . 0.0 110.218 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -145.52 128.5 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.495 -0.753 . . . . 0.0 110.367 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -109.07 108.56 19.3 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.27 -0.894 . . . . 0.0 109.204 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -136.34 143.71 44.26 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.43 -0.794 . . . . 0.0 110.971 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 54.22 30.43 12.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.832 -0.542 . . . . 0.0 111.034 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.45 19.74 79.07 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.502 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -119.86 146.78 45.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.343 -1.092 . . . . 0.0 109.517 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 t -107.92 121.46 44.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.378 -0.826 . . . . 0.0 111.019 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 26' ' ' ARG . 95.0 m-85 -107.57 99.29 8.8 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.7 m -110.15 149.79 29.57 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.439 -0.788 . . . . 0.0 111.431 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.621 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 4.6 mttm -150.42 155.12 38.96 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.29 0.566 . . . . 0.0 109.99 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 37.0 t -133.77 131.65 39.6 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.599 -0.688 . . . . 0.0 109.523 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.1 mt -141.25 178.93 7.07 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.378 -0.826 . . . . 0.0 111.121 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.469 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 20.2 mmt180 53.76 60.22 3.8 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.394 0.616 . . . . 0.0 110.215 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 60.9 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.366 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.497 1.892 0 CA-C-O 120.883 0.373 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.31 -37.33 82.84 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.444 -0.785 . . . . 0.0 110.564 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.18 98.9 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.602 -0.686 . . . . 0.0 110.69 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.2 m -66.32 -38.94 88.87 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.439 -0.788 . . . . 0.0 109.97 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -63.66 -43.79 95.71 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.65 -0.656 . . . . 0.0 109.407 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.0 m -68.72 -33.92 74.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.737 -0.602 . . . . 0.0 109.994 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -39.76 94.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.493 -0.754 . . . . 0.0 109.342 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.0 -40.3 97.04 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -62.0 -46.02 91.07 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.594 -0.945 . . . . 0.0 109.661 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.542 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 8.1 t -65.03 -42.34 94.45 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.719 -0.613 . . . . 0.0 109.607 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -40.4 96.34 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.474 -0.767 . . . . 0.0 109.079 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.47 -26.82 67.37 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.708 -0.62 . . . . 0.0 109.609 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -87.05 11.04 14.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.456 -0.777 . . . . 0.0 110.44 178.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HB3' ' O ' ' A' ' 13' ' ' ARG . 6.7 ttm180 65.98 56.03 0.89 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.693 -0.629 . . . . 0.0 110.291 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.542 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.6 m -130.9 142.71 50.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.549 -0.719 . . . . 0.0 110.036 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.36 9.19 53.33 Favored Glycine 0 N--CA 1.491 2.335 0 C-N-CA 120.412 -0.899 . . . . 0.0 110.888 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.52 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 22.2 t80 -143.79 148.71 35.98 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.011 -1.287 . . . . 0.0 110.667 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -158.59 149.88 20.74 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.543 -0.723 . . . . 0.0 110.389 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.76 112.92 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.631 -0.668 . . . . 0.0 109.629 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -119.87 141.38 49.62 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.29 -0.882 . . . . 0.0 110.714 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -150.48 128.58 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.699 -0.625 . . . . 0.0 109.935 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -109.57 110.46 21.55 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.285 -0.884 . . . . 0.0 109.427 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -149.72 157.58 43.36 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.513 -0.742 . . . . 0.0 110.705 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 52.38 31.1 9.04 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.842 -0.536 . . . . 0.0 111.1 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.17 32.69 85.02 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -141.39 149.48 41.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.508 -0.995 . . . . 0.0 109.917 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.6 t -106.59 123.23 47.8 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.466 -0.771 . . . . 0.0 110.703 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -107.03 101.51 10.93 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.4 m -111.57 151.88 28.21 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.352 -0.843 . . . . 0.0 111.847 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.56 153.47 38.43 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.332 0.587 . . . . 0.0 109.969 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.49 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 48.9 t -130.74 132.26 45.23 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.5 -0.75 . . . . 0.0 109.499 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.3 mt -141.63 -179.55 6.24 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.416 -0.802 . . . . 0.0 111.136 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.52 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 53.8 mmt-85 54.33 58.85 4.59 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.441 0.639 . . . . 0.0 110.142 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.5 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.463 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 121.137 0.494 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 t -61.43 -45.9 92.38 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.573 -0.704 . . . . 0.0 110.575 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.08 -41.18 74.73 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.55 -0.719 . . . . 0.0 110.258 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.9 m -65.74 -39.75 91.42 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.515 -0.741 . . . . 0.0 109.913 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -41.01 98.06 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.514 -0.741 . . . . 0.0 109.943 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.4 m -68.27 -34.56 76.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.596 -0.69 . . . . 0.0 110.239 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -63.59 -42.63 98.26 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.571 -0.705 . . . . 0.0 109.521 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.49 -37.53 90.01 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -61.84 -43.38 98.96 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.603 -0.939 . . . . 0.0 110.264 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.528 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.6 t -66.01 -38.31 88.12 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.505 -0.747 . . . . 0.0 109.801 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -65.23 -39.72 93.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.466 -0.771 . . . . 0.0 109.293 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.73 72.99 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.619 -0.675 . . . . 0.0 110.005 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -86.74 9.25 19.48 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.516 -0.74 . . . . 0.0 110.559 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 64.23 55.19 1.49 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.542 -0.724 . . . . 0.0 110.296 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.528 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 82.3 m -124.11 143.5 50.43 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.419 -0.8 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.68 9.33 55.42 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.566 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.6 t80 -146.52 142.65 28.26 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.982 -1.305 . . . . 0.0 110.4 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -157.57 154.77 29.06 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.336 -0.853 . . . . 0.0 110.372 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 38.7 t -125.33 147.97 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.671 -0.643 . . . . 0.0 109.553 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.3 p -152.85 136.7 16.22 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.328 -0.858 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -151.01 130.6 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.816 -0.552 . . . . 0.0 109.869 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.41 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 1.5 tt -107.78 114.53 28.55 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.227 -0.921 . . . . 0.0 109.651 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -128.16 128.14 44.25 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.432 -0.793 . . . . 0.0 111.149 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 55.95 27.36 11.04 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.753 -0.592 . . . . 0.0 111.516 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.27 6.33 78.4 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 22' ' ' LEU . 6.8 ttt180 -102.88 156.31 17.74 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.164 -1.198 . . . . 0.0 109.22 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.8 t -117.97 121.61 41.1 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.314 -0.866 . . . . 0.0 111.05 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -108.76 98.84 8.27 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 28.8 m -117.86 157.58 26.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.275 -0.891 . . . . 0.0 111.871 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.457 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -151.27 151.2 31.49 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.306 0.575 . . . . 0.0 109.977 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.511 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 36.6 t -128.85 126.25 39.41 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.404 ' HG ' ' C ' ' A' ' 31' ' ' CYS . 26.1 mt -136.69 -180.0 6.03 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.409 -0.807 . . . . 0.0 111.162 -178.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.566 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 87.1 mmt-85 56.12 57.22 5.2 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 121.441 0.639 . . . . 0.0 109.972 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.8 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 117.823 -1.084 . . . . 0.0 110.61 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.195 0.522 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.3 t -62.63 -48.88 77.42 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.56 -0.712 . . . . 0.0 110.523 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.4 77.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.581 -0.699 . . . . 0.0 110.541 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.6 t -64.51 -39.79 94.44 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.457 -0.777 . . . . 0.0 110.187 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -67.97 -40.84 83.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.45 -0.781 . . . . 0.0 109.375 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.3 m -64.59 -37.1 86.39 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.801 -0.562 . . . . 0.0 110.227 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 1.2 ttmt -62.35 -42.09 99.11 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.563 -0.711 . . . . 0.0 109.668 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.61 -38.08 94.26 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -60.7 -47.16 87.52 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.659 -0.906 . . . . 0.0 109.946 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 3.9 t -63.8 -41.09 97.97 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.51 -0.744 . . . . 0.0 109.47 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 ttp85 -62.8 -42.24 99.62 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.592 -0.693 . . . . 0.0 109.222 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.03 -31.86 71.49 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.753 -0.592 . . . . 0.0 110.077 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -87.65 11.8 14.23 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.449 -0.782 . . . . 0.0 110.573 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 64.7 56.08 1.2 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.609 -0.682 . . . . 0.0 110.428 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.573 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 77.5 m -125.29 142.91 51.22 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.275 -0.891 . . . . 0.0 110.172 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.81 7.66 49.62 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.54 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 2.9 t80 -142.31 144.63 33.32 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.049 -1.265 . . . . 0.0 110.191 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.553 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 3.1 p90 -162.97 152.0 14.85 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.25 -0.906 . . . . 0.0 110.484 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.8 t -118.61 147.88 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.65 -0.656 . . . . 0.0 109.469 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -151.76 132.32 13.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.316 -0.865 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -150.04 128.97 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.7 -0.625 . . . . 0.0 110.116 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -109.45 111.23 22.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.277 -0.889 . . . . 0.0 109.362 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -148.68 154.41 39.6 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.394 -0.816 . . . . 0.0 110.948 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.81 33.93 9.36 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 121.199 0.523 . . . . 0.0 111.18 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.63 33.25 86.75 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -137.88 144.65 41.46 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.628 -0.925 . . . . 0.0 109.845 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -106.17 121.25 43.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.483 -0.76 . . . . 0.0 110.424 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -106.53 102.06 11.48 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.1 m -115.6 152.68 32.62 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.412 -0.805 . . . . 0.0 111.354 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -147.52 153.72 39.85 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.255 0.55 . . . . 0.0 110.132 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 49.3 t -133.97 127.66 32.82 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.564 -0.71 . . . . 0.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mp -139.4 179.85 6.3 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.364 -0.835 . . . . 0.0 111.279 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 17.6 mmt85 54.36 61.55 2.97 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-O 121.342 0.591 . . . . 0.0 110.102 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.7 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.583 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 121.247 0.546 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -85.19 -39.74 17.49 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.518 -0.739 . . . . 0.0 110.437 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.16 96.96 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.566 -0.709 . . . . 0.0 110.868 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.0 p -66.24 -37.99 86.84 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.381 -0.824 . . . . 0.0 110.371 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -42.19 81.9 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.476 -0.765 . . . . 0.0 109.555 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.4 m -70.81 -32.08 69.03 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.659 -0.651 . . . . 0.0 109.72 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -63.69 -43.54 96.33 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.43 -37.89 93.09 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -59.37 -45.79 90.47 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.589 -0.948 . . . . 0.0 110.117 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.516 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.7 t -62.77 -40.06 96.1 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.503 -0.748 . . . . 0.0 109.633 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -40.93 96.59 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.457 -0.777 . . . . 0.0 109.179 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.83 -28.96 69.37 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.629 -0.669 . . . . 0.0 109.911 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.7 10.39 18.36 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.549 -0.719 . . . . 0.0 110.48 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 63.86 55.32 1.63 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.684 -0.635 . . . . 0.0 110.428 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 83.2 m -125.66 142.79 51.33 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.329 -0.857 . . . . 0.0 110.344 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.75 8.07 55.98 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.451 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 5.1 t80 -146.61 144.79 29.78 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.93 -1.335 . . . . 0.0 110.354 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -159.63 143.4 14.6 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.324 -0.86 . . . . 0.0 110.087 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.477 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 73.2 t -119.97 120.72 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.315 -0.866 . . . . 0.0 109.949 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.8 p -123.45 136.72 54.74 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.218 -0.926 . . . . 0.0 110.467 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 t -149.65 131.54 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.679 -0.638 . . . . 0.0 110.142 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -108.38 117.04 33.12 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.194 -0.941 . . . . 0.0 109.384 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -149.74 155.73 40.65 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.535 -0.728 . . . . 0.0 110.864 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.68 31.38 7.83 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.797 -0.565 . . . . 0.0 110.975 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.32 30.29 77.34 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -135.05 154.57 51.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.542 -0.975 . . . . 0.0 109.692 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.9 t -107.22 124.48 49.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.44 -0.788 . . . . 0.0 110.621 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -107.66 97.53 7.25 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 58.0 m -109.85 145.79 36.18 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.328 -0.857 . . . . 0.0 111.389 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.477 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -143.63 150.04 38.18 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.261 0.553 . . . . 0.0 110.212 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 33.7 t -132.91 126.07 31.29 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mp -135.5 -179.26 5.53 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.395 -0.815 . . . . 0.0 111.117 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.451 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 21.2 mmt180 54.0 57.32 6.08 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.367 0.603 . . . . 0.0 110.155 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 59.8 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.677 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 120.854 0.359 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 t -58.77 -41.38 86.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.534 -0.729 . . . . 0.0 110.693 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.66 91.79 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.525 -0.734 . . . . 0.0 110.493 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.8 m -65.32 -39.27 92.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.381 -0.824 . . . . 0.0 110.342 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -41.84 91.05 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.39 -0.819 . . . . 0.0 109.281 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.0 m -66.44 -35.99 81.67 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.702 -0.624 . . . . 0.0 109.756 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -43.98 95.57 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.68 -0.637 . . . . 0.0 109.503 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.42 -37.69 92.93 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.73 -39.95 90.55 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.575 -0.956 . . . . 0.0 110.19 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.5 t -69.71 -40.47 76.27 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.459 -0.775 . . . . 0.0 109.15 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -41.76 98.27 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.575 -0.703 . . . . 0.0 109.227 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.41 -30.79 71.47 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.804 -0.56 . . . . 0.0 109.921 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -87.58 11.47 14.9 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.483 -0.761 . . . . 0.0 110.469 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 64.17 56.81 1.32 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.657 -0.652 . . . . 0.0 110.35 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.506 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 66.6 m -128.57 144.18 51.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.393 -0.817 . . . . 0.0 110.242 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.35 3.11 43.34 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.403 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 4.2 t80 -138.1 143.46 40.43 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.034 -1.274 . . . . 0.0 110.072 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -160.24 149.64 17.61 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.352 -0.842 . . . . 0.0 110.566 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 37.1 t -115.38 148.03 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.567 -0.708 . . . . 0.0 109.577 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -152.82 133.29 13.72 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.326 -0.859 . . . . 0.0 110.575 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -151.41 132.28 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.743 -0.598 . . . . 0.0 109.987 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -109.75 109.05 19.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.251 -0.906 . . . . 0.0 109.328 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -143.47 152.17 41.2 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.461 -0.774 . . . . 0.0 110.878 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 52.55 31.22 9.61 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.913 -0.492 . . . . 0.0 111.036 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.71 27.12 73.1 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -131.29 147.79 52.62 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.507 -0.996 . . . . 0.0 109.761 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.3 t -105.66 122.76 46.72 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.511 -0.743 . . . . 0.0 110.213 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -106.6 97.58 7.36 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.9 m -112.89 153.77 27.4 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.535 -0.728 . . . . 0.0 111.484 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -150.64 156.19 40.86 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 121.35 0.595 . . . . 0.0 110.129 179.595 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 22.0 t -133.3 129.21 37.27 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.671 -0.643 . . . . 0.0 109.398 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mp -137.56 177.46 7.85 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.281 -0.887 . . . . 0.0 111.2 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 6.7 mmt85 52.95 64.29 1.92 Allowed 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 121.363 0.601 . . . . 0.0 110.15 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 63.0 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 117.854 -1.07 . . . . 0.0 110.535 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.46 ' HB2' ' HB2' ' A' ' 4' ' ' SER . 74.8 m . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 120.974 0.416 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.3 t -57.61 -38.77 75.51 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.541 -0.724 . . . . 0.0 110.169 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.01 95.99 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.502 -0.749 . . . . 0.0 110.084 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.46 ' HB2' ' HB2' ' A' ' 1' ' ' SER . 3.3 m -68.08 -39.46 82.89 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.307 -0.87 . . . . 0.0 109.742 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -62.0 -41.61 98.25 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.62 -0.675 . . . . 0.0 109.973 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.1 m -69.48 -33.69 73.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.66 -0.65 . . . . 0.0 110.055 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -42.15 96.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.668 -0.645 . . . . 0.0 109.311 178.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.87 -39.15 96.33 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -63.29 -41.82 99.01 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.524 -0.986 . . . . 0.0 109.895 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.9 t -68.75 -42.57 77.35 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -38.33 90.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.756 -0.59 . . . . 0.0 109.413 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.27 72.56 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.693 -0.629 . . . . 0.0 109.733 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -87.76 6.61 34.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.439 -0.788 . . . . 0.0 110.538 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.3 ttm105 68.12 55.08 0.56 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.614 -0.679 . . . . 0.0 110.191 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.8 m -118.18 144.36 45.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.508 -0.745 . . . . 0.0 110.057 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.25 4.53 51.8 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 120.496 -0.859 . . . . 0.0 110.982 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.549 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 1.3 t80 -141.14 141.48 34.16 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.969 -1.313 . . . . 0.0 110.451 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -154.76 151.43 28.67 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.385 -0.822 . . . . 0.0 110.493 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.473 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 23.9 t -124.23 144.5 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -151.43 134.45 15.84 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.287 -0.883 . . . . 0.0 110.671 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.8 t -149.27 131.04 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.799 -0.563 . . . . 0.0 109.92 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.86 111.35 22.71 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.247 -0.908 . . . . 0.0 109.412 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -149.07 155.43 40.72 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.52 -0.738 . . . . 0.0 110.707 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 52.3 30.63 8.23 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.9 -0.5 . . . . 0.0 111.183 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.44 31.34 79.99 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' HA ' ' HD2' ' A' ' 26' ' ' ARG . 33.4 tpt85 -138.88 147.6 42.6 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.522 -0.987 . . . . 0.0 109.945 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.9 t -105.75 123.58 48.17 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.497 -0.752 . . . . 0.0 110.571 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -106.97 103.18 12.54 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.7 m -117.47 157.12 26.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.322 -0.861 . . . . 0.0 111.858 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.473 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 3.7 ttmm -150.33 151.95 33.69 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.31 0.576 . . . . 0.0 110.071 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 43.5 t -132.28 129.55 39.71 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 mt -141.78 -178.61 5.75 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.342 -0.848 . . . . 0.0 111.065 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.549 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 88.2 mmt-85 54.4 54.91 8.74 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 121.36 0.6 . . . . 0.0 110.176 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.2 m . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 118.289 -0.863 . . . . 0.0 110.398 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 121.174 0.511 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.01 -46.74 86.2 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.49 -0.756 . . . . 0.0 110.519 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.39 -35.25 73.59 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.563 -0.711 . . . . 0.0 110.66 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.98 -41.12 82.83 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.331 -0.855 . . . . 0.0 110.266 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -68.84 -40.48 79.41 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.491 -0.756 . . . . 0.0 109.564 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.1 m -66.88 -34.27 77.42 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.671 -0.643 . . . . 0.0 110.273 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 18' ' ' TYR . 3.8 ttpt -63.68 -42.62 98.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.51 -0.744 . . . . 0.0 109.203 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.9 -38.46 96.13 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.324 -1.511 . . . . 0.0 109.324 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -64.45 -42.22 96.08 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.452 -1.028 . . . . 0.0 109.984 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 5.2 t -70.78 -41.21 72.0 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.562 -0.711 . . . . 0.0 109.606 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -38.45 88.96 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.4 -0.813 . . . . 0.0 109.389 178.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.47 -28.64 68.74 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.649 -0.657 . . . . 0.0 109.762 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.91 9.87 17.98 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.565 -0.709 . . . . 0.0 110.57 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 65.98 54.47 1.01 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.512 -0.742 . . . . 0.0 110.252 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.573 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 74.1 m -124.49 142.26 51.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.239 -0.913 . . . . 0.0 110.189 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.03 8.16 49.35 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.463 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 2.6 t80 -142.02 145.48 34.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.093 -1.239 . . . . 0.0 110.245 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 7' ' ' LYS . 6.3 p90 -157.94 149.27 21.36 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.377 -0.827 . . . . 0.0 110.503 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.41 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 39.2 t -122.19 110.97 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.315 -0.866 . . . . 0.0 109.9 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.3 p -120.42 130.64 54.43 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.335 -0.853 . . . . 0.0 110.468 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 t -147.49 132.59 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.581 -0.7 . . . . 0.0 110.014 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.16 119.34 39.21 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.138 -0.976 . . . . 0.0 109.334 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -126.81 122.61 35.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.379 -0.826 . . . . 0.0 111.55 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 52.55 30.94 9.17 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.842 -0.536 . . . . 0.0 111.569 178.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.22 6.24 69.13 Favored Glycine 0 N--CA 1.495 2.62 0 C-N-CA 120.3 -0.952 . . . . 0.0 110.762 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.71 148.16 26.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.116 -1.226 . . . . 0.0 109.21 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.8 t -109.71 122.01 46.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.3 -0.875 . . . . 0.0 111.296 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -108.5 94.66 5.18 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.8 m -109.42 151.05 27.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.343 -0.848 . . . . 0.0 111.488 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -153.0 153.67 33.4 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.372 0.606 . . . . 0.0 109.974 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 48.9 t -132.94 129.25 38.04 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.56 -0.713 . . . . 0.0 109.376 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -138.17 178.62 6.99 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.442 -0.786 . . . . 0.0 111.082 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 20.0 mmt180 54.16 61.87 2.85 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.378 0.609 . . . . 0.0 110.16 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.1 m . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.501 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 121.328 0.585 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.65 -39.24 67.3 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.319 -0.863 . . . . 0.0 110.481 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.11 -41.97 93.73 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.56 -0.712 . . . . 0.0 110.957 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.4 p -68.62 -36.09 78.18 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.23 -0.918 . . . . 0.0 110.24 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -66.91 -42.55 85.25 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.372 -0.83 . . . . 0.0 109.269 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.9 m -68.88 -31.46 70.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.767 -0.583 . . . . 0.0 109.949 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 10.5 tttt -63.65 -44.15 94.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.495 -0.753 . . . . 0.0 109.153 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.67 -37.82 93.93 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.79 -41.33 97.6 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.535 -0.979 . . . . 0.0 110.222 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -68.48 -39.4 81.36 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.392 -0.818 . . . . 0.0 109.307 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -41.04 97.16 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.505 -0.747 . . . . 0.0 109.021 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.57 -29.63 70.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.677 -0.64 . . . . 0.0 109.806 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.96 8.84 18.89 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.563 -0.71 . . . . 0.0 110.468 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 65.48 54.01 1.19 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.604 -0.685 . . . . 0.0 110.086 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 86.1 m -124.6 143.71 50.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.512 -0.743 . . . . 0.0 110.405 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.59 3.23 53.42 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -142.81 142.94 31.96 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.944 -1.327 . . . . 0.0 110.461 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.46 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 3.0 p90 -155.88 151.99 27.77 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.363 -0.836 . . . . 0.0 110.327 179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.482 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 33.1 t -120.38 148.46 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.59 -0.694 . . . . 0.0 109.595 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.1 p -152.82 132.55 13.15 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.363 -0.835 . . . . 0.0 110.558 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 t -150.55 132.32 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.655 -0.653 . . . . 0.0 109.932 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.34 127.52 53.95 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.061 -1.024 . . . . 0.0 109.737 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -142.06 130.3 22.23 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.36 -0.838 . . . . 0.0 111.474 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.78 29.84 6.28 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.938 -0.476 . . . . 0.0 111.694 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.24 18.1 63.34 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -116.62 144.15 44.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.272 -1.134 . . . . 0.0 109.375 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -107.69 123.48 48.58 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.292 -0.88 . . . . 0.0 111.102 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -107.78 100.16 9.56 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.4 m -114.49 153.63 29.65 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.294 -0.879 . . . . 0.0 111.719 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -147.02 158.12 43.83 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.356 0.598 . . . . 0.0 109.991 179.84 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.486 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 16.2 t -139.88 126.17 20.07 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.3 mt -138.54 -178.93 5.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.451 -0.78 . . . . 0.0 111.1 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 54.16 57.46 5.89 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 121.353 0.597 . . . . 0.0 109.942 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.1 m . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.695 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.498 1.943 0 CA-C-O 120.894 0.378 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.36 76.19 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.705 -0.622 . . . . 0.0 110.752 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.6 m -63.54 -40.75 97.81 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.436 -0.79 . . . . 0.0 109.995 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 ttp-105 -67.73 -40.49 84.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.418 -0.801 . . . . 0.0 109.142 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.7 m -67.08 -36.21 81.49 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.736 -0.602 . . . . 0.0 109.934 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.529 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 2.4 ttmt -62.36 -41.2 98.42 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.597 -0.689 . . . . 0.0 109.774 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.08 -37.34 87.19 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -61.99 -41.21 97.79 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.506 -0.997 . . . . 0.0 110.248 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.485 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -67.52 -42.53 82.63 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.463 -0.773 . . . . 0.0 109.586 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -40.0 94.58 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.469 -0.769 . . . . 0.0 109.247 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.67 70.84 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.748 -0.595 . . . . 0.0 109.721 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -88.0 9.84 21.02 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.578 -0.701 . . . . 0.0 110.607 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 7.2 ttp180 65.45 53.96 1.2 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.547 -0.721 . . . . 0.0 110.182 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 85.7 m -122.68 145.35 48.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.322 -0.861 . . . . 0.0 110.225 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.67 -6.72 49.51 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 120.405 -0.902 . . . . 0.0 110.868 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.457 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 0.8 OUTLIER -133.46 141.58 47.88 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.931 -1.334 . . . . 0.0 110.701 -179.758 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.529 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 2.0 p90 -154.4 148.84 26.18 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.455 -0.778 . . . . 0.0 110.201 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.576 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 22.5 t -119.22 147.2 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.579 -0.701 . . . . 0.0 109.544 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -152.24 128.6 10.6 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.44 -0.787 . . . . 0.0 110.509 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 t -148.51 130.44 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.607 -0.683 . . . . 0.0 110.104 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tt -108.42 124.44 50.4 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.155 -0.966 . . . . 0.0 109.499 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -145.05 136.51 25.22 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.473 -0.767 . . . . 0.0 111.208 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 53.49 29.78 9.53 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.742 -0.599 . . . . 0.0 111.406 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.06 19.3 75.17 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.83 144.79 45.06 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.354 -1.086 . . . . 0.0 109.325 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -107.21 124.96 50.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.309 -0.87 . . . . 0.0 111.0 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -109.26 96.3 6.2 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.2 m -111.73 153.85 25.88 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.335 -0.853 . . . . 0.0 111.487 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.576 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -152.08 152.85 32.89 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.253 0.549 . . . . 0.0 110.129 179.691 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 32.3 t -135.08 129.84 34.63 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.5 mt -141.05 -176.71 4.79 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.51 -0.744 . . . . 0.0 110.757 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.457 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER 54.17 53.99 10.23 Favored 'General case' 0 N--CA 1.5 2.075 0 CA-C-O 121.317 0.579 . . . . 0.0 110.109 -179.613 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 14' ' ' ARG . 58.2 m . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 117.837 -1.077 . . . . 0.0 110.762 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.499 1.993 0 CA-C-O 121.038 0.447 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.86 -35.69 81.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.363 -0.836 . . . . 0.0 110.53 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.1 m -70.72 -38.38 73.6 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.355 -0.84 . . . . 0.0 110.253 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -69.26 -38.97 78.7 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.536 -0.727 . . . . 0.0 109.746 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.1 m -68.84 -34.69 75.9 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.665 -0.647 . . . . 0.0 110.204 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -64.85 -40.61 95.43 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.437 -0.79 . . . . 0.0 109.075 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.59 -41.28 99.55 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -61.41 -46.82 88.55 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.651 -0.911 . . . . 0.0 109.562 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -65.07 -37.93 89.13 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.662 -0.649 . . . . 0.0 109.371 178.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -41.14 97.14 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.621 -0.674 . . . . 0.0 109.587 178.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.86 86.29 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.863 -0.523 . . . . 0.0 110.193 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 8.9 ttt180 -80.69 4.88 17.3 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.415 -0.803 . . . . 0.0 110.786 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 66.44 49.12 1.43 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.454 -0.779 . . . . 0.0 110.507 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.581 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 78.4 m -106.7 146.32 30.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.445 -0.784 . . . . 0.0 110.246 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.19 -0.71 54.34 Favored Glycine 0 N--CA 1.49 2.293 0 C-N-CA 120.481 -0.866 . . . . 0.0 110.943 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.589 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 10.9 t80 -138.71 147.86 43.24 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.834 -1.392 . . . . 0.0 110.827 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -154.45 146.77 23.88 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.577 -0.702 . . . . 0.0 109.929 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 60.9 t -123.73 110.18 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.389 -0.819 . . . . 0.0 109.737 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 82.7 p -118.49 136.24 53.92 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.238 -0.914 . . . . 0.0 110.656 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.62 128.4 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.692 -0.63 . . . . 0.0 110.027 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.64 110.1 21.05 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.265 -0.897 . . . . 0.0 109.458 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -149.34 158.15 43.93 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.547 -0.721 . . . . 0.0 110.486 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 52.88 30.18 8.81 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.735 -0.603 . . . . 0.0 110.969 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.66 30.68 78.36 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HD2' ' CZ ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -138.46 149.06 45.07 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.566 -0.961 . . . . 0.0 109.692 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.1 t -105.64 122.53 46.24 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.388 -0.82 . . . . 0.0 110.761 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.466 ' CZ ' ' HD2' ' A' ' 26' ' ' ARG . 76.0 m-85 -106.32 98.4 8.09 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.1 m -109.76 152.57 25.5 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.505 -0.747 . . . . 0.0 111.581 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -149.57 152.3 35.28 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.232 0.539 . . . . 0.0 110.028 179.803 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.563 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 48.6 t -132.9 127.58 34.69 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.562 -0.711 . . . . 0.0 109.252 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.7 mt -138.0 -176.57 4.48 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.454 -0.779 . . . . 0.0 110.898 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.589 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 0.5 OUTLIER 55.17 47.55 21.5 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.723 -0.61 . . . . 0.0 110.29 -179.76 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 60.1 m . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.824 -1.084 . . . . 0.0 110.746 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.499 2.018 0 CA-C-O 120.929 0.395 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.58 93.87 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.392 -0.817 . . . . 0.0 110.505 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 t -66.21 -39.3 89.54 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.361 -0.837 . . . . 0.0 109.77 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.7 mtt-85 -63.07 -40.74 98.58 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.61 -0.681 . . . . 0.0 109.962 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.7 m -66.77 -35.94 81.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.49 -0.756 . . . . 0.0 110.283 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -61.9 -41.89 98.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.533 -0.73 . . . . 0.0 109.329 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.36 -39.78 96.06 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -63.18 -42.12 99.31 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.505 -0.997 . . . . 0.0 109.85 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -68.16 -41.89 80.88 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.537 -0.727 . . . . 0.0 109.336 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -39.4 93.64 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.341 -0.85 . . . . 0.0 109.233 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.73 -29.99 71.15 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.657 -0.652 . . . . 0.0 109.697 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.2 mtt-85 -87.99 10.05 20.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.648 -0.657 . . . . 0.0 110.281 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.35 55.82 1.37 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.641 -0.662 . . . . 0.0 110.434 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 79.4 m -123.24 146.21 48.02 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.384 -0.822 . . . . 0.0 110.352 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.11 -2.28 51.55 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.4 t80 -138.01 143.17 40.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.94 -1.33 . . . . 0.0 110.464 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -156.74 146.14 20.53 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.342 -0.848 . . . . 0.0 110.128 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.488 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 25.1 t -115.95 150.75 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.67 -0.644 . . . . 0.0 109.54 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.4 p -155.32 135.09 12.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.355 -0.841 . . . . 0.0 110.774 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -151.85 130.54 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.783 -0.573 . . . . 0.0 109.712 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -107.87 115.91 30.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.065 -1.022 . . . . 0.0 109.893 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -137.15 137.92 39.71 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.561 -0.712 . . . . 0.0 111.053 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 52.78 32.24 11.88 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.805 -0.559 . . . . 0.0 111.307 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.14 17.75 80.19 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.74 146.56 44.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.309 -1.112 . . . . 0.0 109.449 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -106.81 124.81 50.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.401 -0.812 . . . . 0.0 111.218 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -108.51 96.16 6.15 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 16.4 m -115.17 157.07 24.15 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.263 -0.898 . . . . 0.0 111.794 -178.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -149.31 153.61 37.75 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.335 0.588 . . . . 0.0 109.897 179.782 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 21.6 t -131.02 128.08 39.62 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.529 -0.732 . . . . 0.0 109.424 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mt -138.72 -177.35 4.83 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.475 -0.766 . . . . 0.0 110.987 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.569 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 9.5 mmt180 54.34 52.62 12.18 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.293 0.568 . . . . 0.0 110.239 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 56.9 m . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.656 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 N--CA 1.498 1.946 0 CA-C-O 120.933 0.397 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.63 -38.37 87.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.61 -0.681 . . . . 0.0 110.267 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.0 m -63.97 -41.07 97.66 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.503 -0.748 . . . . 0.0 110.113 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -65.73 -41.79 91.78 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.506 -0.746 . . . . 0.0 109.328 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.5 m -64.37 -35.56 81.29 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.79 -0.569 . . . . 0.0 110.142 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.497 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 9.6 ttmm -62.14 -43.79 98.05 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.618 -0.676 . . . . 0.0 109.379 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.31 -37.68 94.2 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -61.09 -40.91 95.48 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.561 -0.964 . . . . 0.0 110.146 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -69.5 -40.32 77.08 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.424 -0.797 . . . . 0.0 109.465 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -38.91 92.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.503 -0.748 . . . . 0.0 109.061 178.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.04 -27.98 67.84 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.825 -0.547 . . . . 0.0 109.673 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 1.9 mmm180 -88.34 9.25 23.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.436 -0.79 . . . . 0.0 110.363 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 13' ' ' ARG . 26.6 ttp-105 63.54 58.13 1.37 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.636 -0.665 . . . . 0.0 109.945 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.548 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 79.9 m -128.95 146.02 51.07 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.537 -0.727 . . . . 0.0 110.295 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.82 8.35 46.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.527 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 2.4 t80 -145.64 144.11 30.24 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.934 -1.333 . . . . 0.0 110.425 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.497 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 2.6 p90 -160.08 149.0 17.35 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.423 -0.798 . . . . 0.0 110.25 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.497 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 25.5 t -116.62 147.24 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.543 -0.723 . . . . 0.0 109.508 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -151.49 131.56 13.47 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.311 -0.868 . . . . 0.0 110.553 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -148.61 126.45 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.578 -0.701 . . . . 0.0 109.988 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -108.69 116.81 32.68 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.286 -0.884 . . . . 0.0 109.487 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -148.33 147.26 29.09 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.471 -0.768 . . . . 0.0 111.124 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 51.06 33.04 8.43 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.897 -0.502 . . . . 0.0 111.315 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.64 28.17 73.33 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.433 ' HG2' ' CZ ' ' A' ' 28' ' ' TYR . 2.7 tpt180 -129.25 142.17 50.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.587 -0.949 . . . . 0.0 109.449 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.0 t -107.54 122.73 47.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.387 -0.821 . . . . 0.0 110.821 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.433 ' CZ ' ' HG2' ' A' ' 26' ' ' ARG . 97.5 m-85 -108.39 95.86 5.96 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.5 m -109.75 159.13 17.43 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.493 -0.755 . . . . 0.0 111.514 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.497 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.7 OUTLIER -156.65 150.46 24.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.317 0.58 . . . . 0.0 110.158 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 49.5 t -131.32 126.39 35.18 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.567 -0.708 . . . . 0.0 109.093 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 mp -137.6 -177.99 5.04 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.465 -0.772 . . . . 0.0 111.297 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.527 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 16.6 mmt180 53.63 59.29 4.42 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 121.364 0.602 . . . . 0.0 109.964 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 63.1 m . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.624 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 120.946 0.403 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.7 85.83 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.464 -0.773 . . . . 0.0 110.565 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 p -66.06 -39.26 89.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.35 -0.844 . . . . 0.0 109.916 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -61.63 -42.44 98.9 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.605 -0.684 . . . . 0.0 109.652 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.1 m -65.94 -36.66 83.97 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.412 -0.805 . . . . 0.0 109.972 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -60.69 -42.91 98.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.701 -0.624 . . . . 0.0 109.556 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.1 -38.16 93.73 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -64.06 -40.01 95.32 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.537 -0.978 . . . . 0.0 110.091 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.0 t -71.69 -39.76 70.0 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.522 -0.736 . . . . 0.0 109.454 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -39.29 89.42 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.495 -0.753 . . . . 0.0 109.181 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.24 -29.06 69.23 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.691 -0.63 . . . . 0.0 109.988 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -88.52 11.01 18.33 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.473 -0.767 . . . . 0.0 110.596 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 6.1 tmm_? 65.07 57.18 0.97 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.525 -0.734 . . . . 0.0 110.415 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 81.0 m -128.62 146.77 50.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.371 -0.831 . . . . 0.0 110.185 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.63 -9.85 39.59 Favored Glycine 0 N--CA 1.492 2.39 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.039 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -129.09 142.98 50.72 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.87 -1.37 . . . . 0.0 110.643 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -157.11 145.37 19.44 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.449 -0.782 . . . . 0.0 110.153 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.578 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 27.1 t -115.42 150.74 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.55 -0.719 . . . . 0.0 109.683 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.2 p -153.49 135.67 14.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.39 -0.819 . . . . 0.0 110.606 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.6 t -150.71 130.37 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.693 -0.63 . . . . 0.0 109.877 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -109.03 111.85 23.72 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.137 -0.977 . . . . 0.0 109.63 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -145.79 151.74 38.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.577 -0.702 . . . . 0.0 110.678 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 53.09 28.55 6.98 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.893 -0.505 . . . . 0.0 111.44 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.72 26.37 74.5 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.86 147.7 52.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.496 -1.002 . . . . 0.0 109.585 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 t -105.65 121.34 43.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.384 -0.823 . . . . 0.0 110.671 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -106.25 100.07 9.62 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 17.4 m -117.83 160.65 21.02 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.308 -0.87 . . . . 0.0 111.74 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.578 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 7.2 mttt -151.37 157.22 42.16 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.393 0.616 . . . . 0.0 110.095 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.2 t -135.45 128.79 32.14 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.67 -0.644 . . . . 0.0 109.457 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 mt -140.96 -177.71 5.22 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.458 -0.776 . . . . 0.0 110.943 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.6 mmm-85 55.19 56.36 6.56 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.818 -0.552 . . . . 0.0 110.004 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.2 m . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 117.879 -1.058 . . . . 0.0 110.374 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 121.055 0.455 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.5 97.05 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.587 -0.696 . . . . 0.0 111.105 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.7 p -69.21 -36.64 77.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.224 -0.923 . . . . 0.0 110.434 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -72.47 -39.15 67.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.511 -0.743 . . . . 0.0 109.579 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -68.39 -36.23 78.84 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.638 -0.664 . . . . 0.0 109.79 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 18' ' ' TYR . 6.5 tttp -62.65 -41.64 99.16 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.711 -0.618 . . . . 0.0 109.391 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.68 -39.23 96.54 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.93 -36.44 81.39 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.553 -0.969 . . . . 0.0 110.329 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.7 t -70.9 -40.49 72.14 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.486 -0.759 . . . . 0.0 109.443 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -41.02 98.32 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.48 -0.762 . . . . 0.0 109.28 178.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.54 -29.06 70.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.619 -0.676 . . . . 0.0 109.845 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -87.69 10.47 18.05 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.532 -0.73 . . . . 0.0 110.52 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER 63.71 56.65 1.51 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.525 -0.735 . . . . 0.0 110.224 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 77.4 m -125.88 144.28 50.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.4 -0.813 . . . . 0.0 110.466 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.24 -0.87 50.95 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 27.5 t80 -137.01 149.03 47.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.933 -1.333 . . . . 0.0 110.153 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 7' ' ' LYS . 8.9 p90 -157.31 156.95 33.26 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.468 -0.77 . . . . 0.0 110.372 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 29.8 t -129.05 144.23 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.67 -0.644 . . . . 0.0 109.381 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.5 p -150.84 132.69 15.06 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.336 -0.852 . . . . 0.0 110.42 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.3 t -150.2 130.7 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.565 -0.71 . . . . 0.0 110.043 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.92 115.39 29.98 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.189 -0.944 . . . . 0.0 109.435 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -131.24 129.57 41.77 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.389 -0.819 . . . . 0.0 111.574 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.73 30.81 11.74 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.747 -0.596 . . . . 0.0 111.566 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.08 10.12 81.14 Favored Glycine 0 N--CA 1.495 2.567 0 C-N-CA 120.306 -0.949 . . . . 0.0 110.88 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -110.81 144.27 40.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.199 -1.177 . . . . 0.0 109.356 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.3 t -107.53 122.81 47.4 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.33 -0.856 . . . . 0.0 111.326 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -107.8 98.58 8.15 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.8 m -111.94 153.89 26.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.422 -0.799 . . . . 0.0 111.55 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -150.41 152.81 34.9 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.415 0.626 . . . . 0.0 110.248 179.631 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 20.7 t -130.79 127.45 38.71 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mp -137.59 -177.89 4.99 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.393 -0.817 . . . . 0.0 111.052 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 7.1 mmt-85 54.39 53.22 11.15 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-O 121.325 0.583 . . . . 0.0 110.239 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 56.3 m . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 117.796 -1.097 . . . . 0.0 110.655 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.497 1.904 0 CA-C-O 121.045 0.45 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.55 -35.24 79.85 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.542 -0.723 . . . . 0.0 110.449 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 t -69.12 -37.73 78.5 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.416 -0.802 . . . . 0.0 110.216 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.6 -40.01 80.63 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.338 -0.851 . . . . 0.0 109.711 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.4 m -66.99 -35.62 80.36 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.632 -0.668 . . . . 0.0 109.867 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -61.77 -42.84 99.5 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.599 -0.688 . . . . 0.0 109.252 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.66 -39.79 98.35 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -60.08 -46.42 89.62 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.533 -0.981 . . . . 0.0 109.855 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.0 t -66.33 -40.34 89.81 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.712 -0.617 . . . . 0.0 109.586 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.34 -37.76 86.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.391 -0.818 . . . . 0.0 109.436 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.36 72.13 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.556 -0.715 . . . . 0.0 110.057 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.07 10.54 18.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.393 -0.817 . . . . 0.0 110.482 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.59 58.69 1.01 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.599 -0.688 . . . . 0.0 110.555 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.551 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 80.7 m -122.27 143.29 49.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.255 -0.903 . . . . 0.0 109.835 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.69 7.22 57.58 Favored Glycine 0 N--CA 1.492 2.38 0 C-N-CA 120.367 -0.921 . . . . 0.0 110.955 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.517 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 2.1 t80 -148.53 144.36 27.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.897 -1.355 . . . . 0.0 110.437 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -159.8 151.08 19.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.438 -0.789 . . . . 0.0 110.266 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 30.0 t -118.92 147.07 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.608 -0.683 . . . . 0.0 109.634 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.5 p -152.48 132.33 13.28 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.373 -0.829 . . . . 0.0 110.378 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.3 t -150.73 131.23 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.707 -0.621 . . . . 0.0 110.188 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.71 126.57 53.14 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.193 -0.942 . . . . 0.0 109.726 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -142.26 127.1 18.2 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.376 -0.828 . . . . 0.0 111.213 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 53.78 26.52 6.1 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.866 -0.521 . . . . 0.0 111.831 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.39 12.37 65.17 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.57 136.42 50.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.276 -1.132 . . . . 0.0 109.171 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 t -104.99 124.26 49.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.318 -0.864 . . . . 0.0 111.141 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -107.39 97.73 7.45 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.6 m -113.16 150.97 31.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.276 -0.89 . . . . 0.0 111.531 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 6.6 tttt -149.68 154.14 38.1 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.295 0.569 . . . . 0.0 110.093 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 49.6 t -133.34 129.15 37.1 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.525 -0.734 . . . . 0.0 109.547 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp -138.26 -178.84 5.46 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.47 -0.769 . . . . 0.0 111.094 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 11.5 mmt180 53.56 53.63 11.26 Favored 'General case' 0 N--CA 1.501 2.096 0 CA-C-O 121.327 0.584 . . . . 0.0 110.412 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 63.7 m . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.457 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 120.875 0.369 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.73 -40.55 92.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.633 -0.667 . . . . 0.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -64.87 -38.51 91.21 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.451 -0.78 . . . . 0.0 110.281 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -40.84 88.56 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.612 -0.68 . . . . 0.0 109.558 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.4 m -64.86 -37.64 88.31 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.673 -0.642 . . . . 0.0 110.309 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -61.85 -42.7 99.36 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.555 -0.716 . . . . 0.0 109.546 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.64 -38.32 95.52 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -63.03 -44.71 95.18 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.463 -1.022 . . . . 0.0 109.969 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.7 t -65.78 -39.41 90.96 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.523 -0.736 . . . . 0.0 109.656 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -39.82 89.38 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.335 -0.853 . . . . 0.0 109.216 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.51 -25.57 65.91 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.752 -0.592 . . . . 0.0 109.766 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 8.7 mmp_? -89.39 8.58 30.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.539 -0.726 . . . . 0.0 110.521 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 7.1 tpm_? 64.18 56.5 1.35 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.545 -0.722 . . . . 0.0 110.086 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.5 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 78.8 m -125.28 145.59 49.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.445 -0.784 . . . . 0.0 110.182 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.04 -0.78 51.56 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.56 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.2 t80 -139.81 142.95 36.64 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.86 -1.376 . . . . 0.0 110.687 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -156.16 148.48 23.52 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.409 -0.807 . . . . 0.0 110.207 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.59 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 34.1 t -119.27 148.19 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.596 -0.69 . . . . 0.0 109.482 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.8 p -151.62 134.94 16.02 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.329 -0.857 . . . . 0.0 110.679 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -151.54 128.76 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.645 -0.659 . . . . 0.0 109.94 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 tt -109.16 110.05 21.18 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -148.38 157.3 43.39 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.501 -0.749 . . . . 0.0 110.703 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 ttt-85 52.13 31.41 8.95 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.832 -0.542 . . . . 0.0 111.022 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.91 32.29 83.68 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -138.99 149.95 45.3 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.542 -0.975 . . . . 0.0 109.974 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -106.89 122.58 46.69 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.575 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -107.6 101.0 10.36 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.6 m -117.44 154.91 30.57 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.385 -0.822 . . . . 0.0 111.431 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.59 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -148.59 151.61 35.35 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.335 0.588 . . . . 0.0 109.931 179.628 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 37.3 t -132.77 127.44 34.63 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.552 -0.717 . . . . 0.0 109.342 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.4 mt -139.66 -174.8 3.99 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.48 -0.762 . . . . 0.0 110.794 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 16.3 mmt85 55.83 49.16 16.64 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-O 121.37 0.605 . . . . 0.0 109.994 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 14' ' ' ARG . 46.3 m . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.643 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.498 1.941 0 CA-C-O 120.945 0.402 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.91 93.03 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.518 -0.739 . . . . 0.0 110.444 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m -64.61 -39.34 93.54 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.381 -0.824 . . . . 0.0 110.172 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -67.02 -40.65 87.32 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.408 -0.808 . . . . 0.0 109.556 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.9 m -65.18 -37.47 87.45 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.733 -0.605 . . . . 0.0 110.1 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -61.16 -42.51 98.69 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.595 -0.691 . . . . 0.0 109.4 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.26 -38.59 95.29 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.206 -1.558 . . . . 0.0 109.206 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.19 -41.64 98.54 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.506 -0.997 . . . . 0.0 110.239 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -70.43 -40.11 73.98 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.525 -0.734 . . . . 0.0 109.121 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -64.38 -39.82 94.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.567 -0.708 . . . . 0.0 109.181 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.89 73.21 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.663 -0.648 . . . . 0.0 110.108 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.12 10.19 17.5 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.394 -0.816 . . . . 0.0 110.682 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 64.64 55.43 1.29 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.62 -0.675 . . . . 0.0 110.328 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.504 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 82.5 m -121.01 143.83 48.84 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.302 -0.874 . . . . 0.0 110.277 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.68 5.11 54.02 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.435 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 2.3 t80 -144.13 142.71 30.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.977 -1.308 . . . . 0.0 110.5 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -158.53 148.63 19.78 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.34 -0.85 . . . . 0.0 110.32 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 22.8 t -117.08 149.32 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.621 -0.674 . . . . 0.0 109.553 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.4 p -153.02 133.56 13.72 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.396 -0.815 . . . . 0.0 110.629 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -151.37 128.91 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.626 -0.671 . . . . 0.0 109.896 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.06 109.82 20.93 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.228 -0.92 . . . . 0.0 109.331 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -146.52 154.56 41.69 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.478 -0.764 . . . . 0.0 110.952 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 52.72 29.87 8.05 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.914 -0.491 . . . . 0.0 111.361 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.58 30.51 74.95 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.404 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 2.3 tpt180 -137.18 149.38 47.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.513 -0.993 . . . . 0.0 109.929 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.6 t -107.33 121.41 44.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.429 -0.794 . . . . 0.0 110.616 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 26' ' ' ARG . 83.4 m-85 -106.77 99.72 9.27 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.5 m -114.42 156.97 23.52 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.351 -0.843 . . . . 0.0 111.445 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -149.8 154.36 38.3 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.287 0.565 . . . . 0.0 110.164 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.458 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 27.9 t -135.07 128.88 33.08 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.668 -0.645 . . . . 0.0 109.293 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.6 mt -141.65 -179.12 5.98 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.315 -0.866 . . . . 0.0 111.089 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.435 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 4.6 mmp_? 54.53 56.2 7.1 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.435 0.636 . . . . 0.0 110.177 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 59.6 m . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.753 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.496 1.871 0 CA-C-O 121.069 0.461 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.19 86.66 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.556 -0.715 . . . . 0.0 110.211 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 t -65.84 -39.77 91.13 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.333 -0.854 . . . . 0.0 110.122 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -68.34 -40.64 81.49 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.544 -0.722 . . . . 0.0 109.801 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -65.45 -35.8 82.0 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.674 -0.641 . . . . 0.0 110.551 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -63.78 -41.99 97.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.325 -0.859 . . . . 0.0 109.343 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.33 -39.27 96.84 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -61.42 -47.6 85.05 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.503 -0.998 . . . . 0.0 109.8 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.8 t -63.49 -40.85 98.19 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.606 -0.684 . . . . 0.0 109.661 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -38.35 87.85 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.39 -0.819 . . . . 0.0 109.459 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.14 -34.9 77.26 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.628 -0.67 . . . . 0.0 109.728 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' A' ' 14' ' ' ARG . 5.2 ttt180 -83.14 6.15 20.2 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.559 -0.713 . . . . 0.0 110.406 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 2.9 tpp180 69.15 49.29 0.63 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.607 -0.683 . . . . 0.0 110.408 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.533 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 83.1 m -113.04 148.37 35.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.357 -0.839 . . . . 0.0 110.251 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.04 -7.36 41.2 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.432 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.9 t80 -131.43 142.56 50.04 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.875 -1.368 . . . . 0.0 110.47 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -157.85 147.01 19.61 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.363 -0.835 . . . . 0.0 110.177 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.424 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 43.8 t -118.47 148.9 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.572 -0.705 . . . . 0.0 109.592 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -152.49 132.94 13.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.326 -0.859 . . . . 0.0 110.359 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -151.49 129.85 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.535 -0.728 . . . . 0.0 110.153 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -107.89 109.79 21.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.197 -0.94 . . . . 0.0 109.339 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -138.47 147.72 43.55 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.47 -0.769 . . . . 0.0 110.893 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 53.34 30.44 10.23 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.803 -0.561 . . . . 0.0 111.141 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.09 24.51 75.87 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -126.43 149.23 49.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.505 -0.997 . . . . 0.0 109.454 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -106.59 123.58 48.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.395 -0.816 . . . . 0.0 110.968 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -106.99 96.51 6.48 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.8 m -112.22 151.96 28.97 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.36 -0.838 . . . . 0.0 111.337 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -148.4 154.18 39.57 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.299 0.571 . . . . 0.0 110.197 179.683 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 38.2 t -136.16 131.11 34.25 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.552 -0.717 . . . . 0.0 109.384 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.0 mt -142.49 -178.43 5.76 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.418 -0.801 . . . . 0.0 110.86 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 3.3 mmm180 54.14 53.98 10.26 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 121.245 0.545 . . . . 0.0 110.188 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 62.4 m . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.548 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.5 2.064 0 CA-C-O 120.856 0.36 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.94 96.44 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.571 -0.705 . . . . 0.0 110.366 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 m -64.64 -40.02 94.73 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.548 -0.72 . . . . 0.0 110.347 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -65.69 -40.38 92.24 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.456 -0.778 . . . . 0.0 109.421 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.6 m -72.18 -33.51 67.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.586 -0.696 . . . . 0.0 109.589 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -65.07 -40.56 94.86 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.623 -0.673 . . . . 0.0 109.228 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.5 -40.62 98.96 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.78 -43.89 97.62 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.638 -0.919 . . . . 0.0 109.555 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.586 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 7.9 t -66.19 -41.07 90.74 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.612 -0.68 . . . . 0.0 109.444 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -39.7 94.3 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.651 -0.656 . . . . 0.0 109.322 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.24 -35.27 78.44 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.634 -0.666 . . . . 0.0 109.793 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -80.75 6.49 12.78 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.526 -0.734 . . . . 0.0 110.458 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.77 49.1 0.72 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.721 -0.612 . . . . 0.0 110.433 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.586 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.7 m -115.71 144.92 43.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.357 -0.839 . . . . 0.0 110.301 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.48 -6.97 49.75 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.188 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.522 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.1 t80 -130.06 144.65 51.46 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.921 -1.341 . . . . 0.0 110.604 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -152.23 145.35 24.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.493 -0.755 . . . . 0.0 110.245 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.2 t -121.4 110.39 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.598 -0.689 . . . . 0.0 109.702 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.4 p -119.17 139.25 52.14 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.338 -0.851 . . . . 0.0 110.786 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t -149.57 145.75 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.609 -0.682 . . . . 0.0 110.203 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -124.46 125.18 43.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.276 -0.89 . . . . 0.0 109.568 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -148.09 134.51 19.63 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.401 -0.812 . . . . 0.0 111.021 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 54.48 25.92 6.63 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.959 -0.463 . . . . 0.0 111.594 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.27 15.72 68.52 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -115.7 140.33 49.3 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.197 -1.178 . . . . 0.0 109.433 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -107.54 122.63 47.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.393 -0.817 . . . . 0.0 110.893 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 45.4 m-85 -107.32 103.13 12.41 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.6 m -111.45 152.54 27.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.355 -0.841 . . . . 0.0 111.736 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.4 155.13 38.0 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.392 0.615 . . . . 0.0 110.12 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.563 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 46.2 t -134.93 133.02 39.15 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.623 -0.673 . . . . 0.0 109.674 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.5 mt -141.89 -178.83 5.87 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.493 -0.755 . . . . 0.0 110.743 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 15.8 mmt180 53.89 58.84 4.71 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.403 0.621 . . . . 0.0 109.948 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.4 m . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.498 -179.468 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 121.03 0.443 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.44 -37.05 77.12 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.594 -0.691 . . . . 0.0 110.243 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -63.62 -42.48 98.19 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.579 -0.701 . . . . 0.0 110.072 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -41.11 81.28 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.543 -0.723 . . . . 0.0 109.55 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.3 m -67.41 -33.34 74.98 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.735 -0.603 . . . . 0.0 109.695 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HD3' ' CZ ' ' A' ' 18' ' ' TYR . 1.3 tptt -62.71 -44.29 96.6 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.35 -40.1 98.61 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -61.44 -43.97 97.94 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.543 -0.975 . . . . 0.0 109.946 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 3.3 t -68.89 -40.96 78.91 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.757 -0.589 . . . . 0.0 109.585 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -37.04 82.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.328 -0.857 . . . . 0.0 109.434 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.39 -31.62 72.31 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.518 -0.739 . . . . 0.0 109.616 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.07 8.78 28.06 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.544 -0.723 . . . . 0.0 110.434 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 65.81 55.04 1.0 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.665 -0.647 . . . . 0.0 110.48 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.525 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.8 m -117.96 143.95 45.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.443 -0.786 . . . . 0.0 110.117 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.48 2.55 49.89 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.49 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 3.8 t80 -137.2 142.81 42.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.019 -1.283 . . . . 0.0 110.355 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.403 ' CZ ' ' HD3' ' A' ' 7' ' ' LYS . 4.7 p90 -155.2 140.58 17.72 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.47 -0.769 . . . . 0.0 109.928 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.657 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 51.0 t -117.02 109.66 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.378 -0.826 . . . . 0.0 110.009 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.1 p -117.98 132.52 56.38 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.343 -0.848 . . . . 0.0 110.218 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -145.52 128.5 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.495 -0.753 . . . . 0.0 110.367 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -109.07 108.56 19.3 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.27 -0.894 . . . . 0.0 109.204 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -136.34 143.71 44.26 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.43 -0.794 . . . . 0.0 110.971 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 54.22 30.43 12.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.832 -0.542 . . . . 0.0 111.034 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.45 19.74 79.07 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.518 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -119.86 146.78 45.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.343 -1.092 . . . . 0.0 109.517 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 t -107.92 121.46 44.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.378 -0.826 . . . . 0.0 111.019 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 26' ' ' ARG . 95.0 m-85 -107.57 99.29 8.8 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.7 m -110.15 149.79 29.57 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.439 -0.788 . . . . 0.0 111.431 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.657 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 4.6 mttm -150.42 155.12 38.96 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.29 0.566 . . . . 0.0 109.99 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 37.0 t -133.77 131.65 39.6 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.599 -0.688 . . . . 0.0 109.523 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.1 mt -141.25 178.93 7.07 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.378 -0.826 . . . . 0.0 111.121 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 20.2 mmt180 53.76 60.22 3.8 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.394 0.616 . . . . 0.0 110.215 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.9 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.366 -179.733 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.499 2.01 0 CA-C-O 120.896 0.379 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.18 98.9 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.602 -0.686 . . . . 0.0 110.69 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.2 m -66.32 -38.94 88.87 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.439 -0.788 . . . . 0.0 109.97 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -63.66 -43.79 95.71 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.65 -0.656 . . . . 0.0 109.407 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.0 m -68.72 -33.92 74.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.737 -0.602 . . . . 0.0 109.994 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -39.76 94.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.493 -0.754 . . . . 0.0 109.342 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.0 -40.3 97.04 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -62.0 -46.02 91.07 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.594 -0.945 . . . . 0.0 109.661 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 8.1 t -65.03 -42.34 94.45 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.719 -0.613 . . . . 0.0 109.607 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -40.4 96.34 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.474 -0.767 . . . . 0.0 109.079 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.47 -26.82 67.37 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.708 -0.62 . . . . 0.0 109.609 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.481 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -87.05 11.04 14.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.456 -0.777 . . . . 0.0 110.44 178.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 13' ' ' ARG . 6.7 ttm180 65.98 56.03 0.89 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.693 -0.629 . . . . 0.0 110.291 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.568 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.6 m -130.9 142.71 50.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.549 -0.719 . . . . 0.0 110.036 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.36 9.19 53.33 Favored Glycine 0 N--CA 1.491 2.335 0 C-N-CA 120.412 -0.899 . . . . 0.0 110.888 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.548 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 22.2 t80 -143.79 148.71 35.98 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.011 -1.287 . . . . 0.0 110.667 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -158.59 149.88 20.74 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.543 -0.723 . . . . 0.0 110.389 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.76 112.92 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.631 -0.668 . . . . 0.0 109.629 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -119.87 141.38 49.62 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.29 -0.882 . . . . 0.0 110.714 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -150.48 128.58 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.699 -0.625 . . . . 0.0 109.935 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -109.57 110.46 21.55 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.285 -0.884 . . . . 0.0 109.427 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -149.72 157.58 43.36 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.513 -0.742 . . . . 0.0 110.705 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 52.38 31.1 9.04 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.842 -0.536 . . . . 0.0 111.1 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.17 32.69 85.02 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -141.39 149.48 41.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.508 -0.995 . . . . 0.0 109.917 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.6 t -106.59 123.23 47.8 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.466 -0.771 . . . . 0.0 110.703 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -107.03 101.51 10.93 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.4 m -111.57 151.88 28.21 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.352 -0.843 . . . . 0.0 111.847 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.56 153.47 38.43 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.332 0.587 . . . . 0.0 109.969 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.49 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 48.9 t -130.74 132.26 45.23 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.5 -0.75 . . . . 0.0 109.499 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.3 mt -141.63 -179.55 6.24 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.416 -0.802 . . . . 0.0 111.136 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 53.8 mmt-85 54.33 58.85 4.59 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.441 0.639 . . . . 0.0 110.142 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.5 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.463 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.5 2.065 0 CA-C-O 120.8 0.333 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.08 -41.18 74.73 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.55 -0.719 . . . . 0.0 110.258 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.9 m -65.74 -39.75 91.42 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.515 -0.741 . . . . 0.0 109.913 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -41.01 98.06 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.514 -0.741 . . . . 0.0 109.943 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.4 m -68.27 -34.56 76.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.596 -0.69 . . . . 0.0 110.239 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -63.59 -42.63 98.26 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.571 -0.705 . . . . 0.0 109.521 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.49 -37.53 90.01 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -61.84 -43.38 98.96 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.603 -0.939 . . . . 0.0 110.264 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.6 t -66.01 -38.31 88.12 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.505 -0.747 . . . . 0.0 109.801 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -65.23 -39.72 93.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.466 -0.771 . . . . 0.0 109.293 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.73 72.99 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.619 -0.675 . . . . 0.0 110.005 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -86.74 9.25 19.48 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.516 -0.74 . . . . 0.0 110.559 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 64.23 55.19 1.49 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.542 -0.724 . . . . 0.0 110.296 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.554 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 82.3 m -124.11 143.5 50.43 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.419 -0.8 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.68 9.33 55.42 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.591 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.6 t80 -146.52 142.65 28.26 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.982 -1.305 . . . . 0.0 110.4 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -157.57 154.77 29.06 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.336 -0.853 . . . . 0.0 110.372 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.491 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 38.7 t -125.33 147.97 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.671 -0.643 . . . . 0.0 109.553 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.3 p -152.85 136.7 16.22 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.328 -0.858 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -151.01 130.6 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.816 -0.552 . . . . 0.0 109.869 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 1.5 tt -107.78 114.53 28.55 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.227 -0.921 . . . . 0.0 109.651 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -128.16 128.14 44.25 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.432 -0.793 . . . . 0.0 111.149 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 55.95 27.36 11.04 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.753 -0.592 . . . . 0.0 111.516 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.27 6.33 78.4 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' A' ' 22' ' ' LEU . 6.8 ttt180 -102.88 156.31 17.74 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.164 -1.198 . . . . 0.0 109.22 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.8 t -117.97 121.61 41.1 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.314 -0.866 . . . . 0.0 111.05 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -108.76 98.84 8.27 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 28.8 m -117.86 157.58 26.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.275 -0.891 . . . . 0.0 111.871 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.491 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -151.27 151.2 31.49 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.306 0.575 . . . . 0.0 109.977 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.511 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 36.6 t -128.85 126.25 39.41 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' HG ' ' C ' ' A' ' 31' ' ' CYS . 26.1 mt -136.69 -180.0 6.03 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.409 -0.807 . . . . 0.0 111.162 -178.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.591 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 87.1 mmt-85 56.12 57.22 5.2 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 121.441 0.639 . . . . 0.0 109.972 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.8 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 117.823 -1.084 . . . . 0.0 110.61 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.499 2.004 0 CA-C-O 120.846 0.355 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.4 77.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.581 -0.699 . . . . 0.0 110.541 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.6 t -64.51 -39.79 94.44 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.457 -0.777 . . . . 0.0 110.187 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -67.97 -40.84 83.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.45 -0.781 . . . . 0.0 109.375 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.3 m -64.59 -37.1 86.39 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.801 -0.562 . . . . 0.0 110.227 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 1.2 ttmt -62.35 -42.09 99.11 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.563 -0.711 . . . . 0.0 109.668 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.61 -38.08 94.26 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -60.7 -47.16 87.52 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.659 -0.906 . . . . 0.0 109.946 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.597 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 3.9 t -63.8 -41.09 97.97 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.51 -0.744 . . . . 0.0 109.47 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 ttp85 -62.8 -42.24 99.62 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.592 -0.693 . . . . 0.0 109.222 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.03 -31.86 71.49 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.753 -0.592 . . . . 0.0 110.077 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -87.65 11.8 14.23 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.449 -0.782 . . . . 0.0 110.573 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 64.7 56.08 1.2 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.609 -0.682 . . . . 0.0 110.428 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.597 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 77.5 m -125.29 142.91 51.22 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.275 -0.891 . . . . 0.0 110.172 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.81 7.66 49.62 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 2.9 t80 -142.31 144.63 33.32 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.049 -1.265 . . . . 0.0 110.191 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 3.1 p90 -162.97 152.0 14.85 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.25 -0.906 . . . . 0.0 110.484 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.411 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 30.8 t -118.61 147.88 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.65 -0.656 . . . . 0.0 109.469 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -151.76 132.32 13.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.316 -0.865 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -150.04 128.97 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.7 -0.625 . . . . 0.0 110.116 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -109.45 111.23 22.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.277 -0.889 . . . . 0.0 109.362 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -148.68 154.41 39.6 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.394 -0.816 . . . . 0.0 110.948 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.81 33.93 9.36 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 121.199 0.523 . . . . 0.0 111.18 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.63 33.25 86.75 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -137.88 144.65 41.46 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.628 -0.925 . . . . 0.0 109.845 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -106.17 121.25 43.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.483 -0.76 . . . . 0.0 110.424 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -106.53 102.06 11.48 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.1 m -115.6 152.68 32.62 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.412 -0.805 . . . . 0.0 111.354 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.411 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 13.3 tttt -147.52 153.72 39.85 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.255 0.55 . . . . 0.0 110.132 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 49.3 t -133.97 127.66 32.82 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.564 -0.71 . . . . 0.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mp -139.4 179.85 6.3 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.364 -0.835 . . . . 0.0 111.279 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 17.6 mmt85 54.36 61.55 2.97 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-O 121.342 0.591 . . . . 0.0 110.102 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.7 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.583 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 120.96 0.41 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.16 96.96 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.566 -0.709 . . . . 0.0 110.868 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.0 p -66.24 -37.99 86.84 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.381 -0.824 . . . . 0.0 110.371 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -42.19 81.9 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.476 -0.765 . . . . 0.0 109.555 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.4 m -70.81 -32.08 69.03 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.659 -0.651 . . . . 0.0 109.72 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 2.5 ttpt -63.69 -43.54 96.33 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.43 -37.89 93.09 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -59.37 -45.79 90.47 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.589 -0.948 . . . . 0.0 110.117 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.541 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.7 t -62.77 -40.06 96.1 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.503 -0.748 . . . . 0.0 109.633 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -40.93 96.59 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.457 -0.777 . . . . 0.0 109.179 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.83 -28.96 69.37 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.629 -0.669 . . . . 0.0 109.911 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.7 10.39 18.36 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.549 -0.719 . . . . 0.0 110.48 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 63.86 55.32 1.63 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.684 -0.635 . . . . 0.0 110.428 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.541 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 83.2 m -125.66 142.79 51.33 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.329 -0.857 . . . . 0.0 110.344 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.75 8.07 55.98 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.479 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 5.1 t80 -146.61 144.79 29.78 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.93 -1.335 . . . . 0.0 110.354 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.426 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 2.3 p90 -159.63 143.4 14.6 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.324 -0.86 . . . . 0.0 110.087 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 73.2 t -119.97 120.72 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.315 -0.866 . . . . 0.0 109.949 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.8 p -123.45 136.72 54.74 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.218 -0.926 . . . . 0.0 110.467 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 t -149.65 131.54 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.679 -0.638 . . . . 0.0 110.142 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -108.38 117.04 33.12 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.194 -0.941 . . . . 0.0 109.384 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -149.74 155.73 40.65 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.535 -0.728 . . . . 0.0 110.864 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.68 31.38 7.83 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.797 -0.565 . . . . 0.0 110.975 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.32 30.29 77.34 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -135.05 154.57 51.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.542 -0.975 . . . . 0.0 109.692 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.9 t -107.22 124.48 49.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.44 -0.788 . . . . 0.0 110.621 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -107.66 97.53 7.25 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 58.0 m -109.85 145.79 36.18 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.328 -0.857 . . . . 0.0 111.389 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.511 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -143.63 150.04 38.18 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.261 0.553 . . . . 0.0 110.212 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 33.7 t -132.91 126.07 31.29 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mp -135.5 -179.26 5.53 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.395 -0.815 . . . . 0.0 111.117 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.479 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 21.2 mmt180 54.0 57.32 6.08 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.367 0.603 . . . . 0.0 110.155 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 59.8 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.677 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 120.782 0.325 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.66 91.79 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.525 -0.734 . . . . 0.0 110.493 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.8 m -65.32 -39.27 92.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.381 -0.824 . . . . 0.0 110.342 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -41.84 91.05 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.39 -0.819 . . . . 0.0 109.281 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.0 m -66.44 -35.99 81.67 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.702 -0.624 . . . . 0.0 109.756 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -43.98 95.57 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.68 -0.637 . . . . 0.0 109.503 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.42 -37.69 92.93 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.73 -39.95 90.55 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.575 -0.956 . . . . 0.0 110.19 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.5 t -69.71 -40.47 76.27 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.459 -0.775 . . . . 0.0 109.15 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -41.76 98.27 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.575 -0.703 . . . . 0.0 109.227 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.41 -30.79 71.47 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.804 -0.56 . . . . 0.0 109.921 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -87.58 11.47 14.9 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.483 -0.761 . . . . 0.0 110.469 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 64.17 56.81 1.32 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.657 -0.652 . . . . 0.0 110.35 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.531 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 66.6 m -128.57 144.18 51.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.393 -0.817 . . . . 0.0 110.242 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.35 3.11 43.34 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.424 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 4.2 t80 -138.1 143.46 40.43 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.034 -1.274 . . . . 0.0 110.072 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -160.24 149.64 17.61 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.352 -0.842 . . . . 0.0 110.566 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.45 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 37.1 t -115.38 148.03 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.567 -0.708 . . . . 0.0 109.577 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -152.82 133.29 13.72 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.326 -0.859 . . . . 0.0 110.575 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -151.41 132.28 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.743 -0.598 . . . . 0.0 109.987 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -109.75 109.05 19.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.251 -0.906 . . . . 0.0 109.328 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -143.47 152.17 41.2 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.461 -0.774 . . . . 0.0 110.878 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 52.55 31.22 9.61 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.913 -0.492 . . . . 0.0 111.036 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.71 27.12 73.1 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -131.29 147.79 52.62 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.507 -0.996 . . . . 0.0 109.761 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.3 t -105.66 122.76 46.72 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.511 -0.743 . . . . 0.0 110.213 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -106.6 97.58 7.36 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.9 m -112.89 153.77 27.4 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.535 -0.728 . . . . 0.0 111.484 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -150.64 156.19 40.86 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 121.35 0.595 . . . . 0.0 110.129 179.595 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 22.0 t -133.3 129.21 37.27 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.671 -0.643 . . . . 0.0 109.398 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mp -137.56 177.46 7.85 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.281 -0.887 . . . . 0.0 111.2 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.424 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 6.7 mmt85 52.95 64.29 1.92 Allowed 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 121.363 0.601 . . . . 0.0 110.15 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.0 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 117.854 -1.07 . . . . 0.0 110.535 -179.624 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.498 1.973 0 CA-C-O 120.898 0.38 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.01 95.99 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.502 -0.749 . . . . 0.0 110.084 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -68.08 -39.46 82.89 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.307 -0.87 . . . . 0.0 109.742 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -62.0 -41.61 98.25 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.62 -0.675 . . . . 0.0 109.973 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.1 m -69.48 -33.69 73.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.66 -0.65 . . . . 0.0 110.055 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -42.15 96.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.668 -0.645 . . . . 0.0 109.311 178.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.87 -39.15 96.33 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -63.29 -41.82 99.01 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.524 -0.986 . . . . 0.0 109.895 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.9 t -68.75 -42.57 77.35 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -38.33 90.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.756 -0.59 . . . . 0.0 109.413 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.27 72.56 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.693 -0.629 . . . . 0.0 109.733 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -87.76 6.61 34.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.439 -0.788 . . . . 0.0 110.538 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.3 ttm105 68.12 55.08 0.56 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.614 -0.679 . . . . 0.0 110.191 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.522 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.8 m -118.18 144.36 45.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.508 -0.745 . . . . 0.0 110.057 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.25 4.53 51.8 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 120.496 -0.859 . . . . 0.0 110.982 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.572 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 1.3 t80 -141.14 141.48 34.16 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.969 -1.313 . . . . 0.0 110.451 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -154.76 151.43 28.67 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.385 -0.822 . . . . 0.0 110.493 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 23.9 t -124.23 144.5 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -151.43 134.45 15.84 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.287 -0.883 . . . . 0.0 110.671 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.8 t -149.27 131.04 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.799 -0.563 . . . . 0.0 109.92 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.86 111.35 22.71 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.247 -0.908 . . . . 0.0 109.412 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -149.07 155.43 40.72 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.52 -0.738 . . . . 0.0 110.707 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 52.3 30.63 8.23 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.9 -0.5 . . . . 0.0 111.183 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.44 31.34 79.99 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.43 ' HD2' ' HA ' ' A' ' 26' ' ' ARG . 33.4 tpt85 -138.88 147.6 42.6 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.522 -0.987 . . . . 0.0 109.945 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.9 t -105.75 123.58 48.17 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.497 -0.752 . . . . 0.0 110.571 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -106.97 103.18 12.54 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 31.7 m -117.47 157.12 26.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.322 -0.861 . . . . 0.0 111.858 -178.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.512 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 3.7 ttmm -150.33 151.95 33.69 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.31 0.576 . . . . 0.0 110.071 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 43.5 t -132.28 129.55 39.71 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 mt -141.78 -178.61 5.75 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.342 -0.848 . . . . 0.0 111.065 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.572 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 88.2 mmt-85 54.4 54.91 8.74 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 121.36 0.6 . . . . 0.0 110.176 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.2 m . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 118.289 -0.863 . . . . 0.0 110.398 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 120.891 0.377 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.39 -35.25 73.59 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.563 -0.711 . . . . 0.0 110.66 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.98 -41.12 82.83 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.331 -0.855 . . . . 0.0 110.266 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -68.84 -40.48 79.41 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.491 -0.756 . . . . 0.0 109.564 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.1 m -66.88 -34.27 77.42 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.671 -0.643 . . . . 0.0 110.273 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 18' ' ' TYR . 3.8 ttpt -63.68 -42.62 98.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.51 -0.744 . . . . 0.0 109.203 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.9 -38.46 96.13 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.324 -1.511 . . . . 0.0 109.324 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -64.45 -42.22 96.08 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.452 -1.028 . . . . 0.0 109.984 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.597 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 5.2 t -70.78 -41.21 72.0 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.562 -0.711 . . . . 0.0 109.606 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -38.45 88.96 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.4 -0.813 . . . . 0.0 109.389 178.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.47 -28.64 68.74 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.649 -0.657 . . . . 0.0 109.762 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -86.91 9.87 17.98 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.565 -0.709 . . . . 0.0 110.57 179.132 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 13' ' ' ARG . 11.1 ttp180 65.98 54.47 1.01 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.512 -0.742 . . . . 0.0 110.252 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.597 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 74.1 m -124.49 142.26 51.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.239 -0.913 . . . . 0.0 110.189 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.03 8.16 49.35 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.486 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 2.6 t80 -142.02 145.48 34.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.093 -1.239 . . . . 0.0 110.245 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.562 ' CZ ' ' HD3' ' A' ' 7' ' ' LYS . 6.3 p90 -157.94 149.27 21.36 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.377 -0.827 . . . . 0.0 110.503 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.445 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 39.2 t -122.19 110.97 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.315 -0.866 . . . . 0.0 109.9 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.3 p -120.42 130.64 54.43 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.335 -0.853 . . . . 0.0 110.468 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 t -147.49 132.59 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.581 -0.7 . . . . 0.0 110.014 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -108.16 119.34 39.21 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.138 -0.976 . . . . 0.0 109.334 179.394 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -126.81 122.61 35.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.379 -0.826 . . . . 0.0 111.55 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 52.55 30.94 9.17 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.842 -0.536 . . . . 0.0 111.569 178.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.22 6.24 69.13 Favored Glycine 0 N--CA 1.495 2.62 0 C-N-CA 120.3 -0.952 . . . . 0.0 110.762 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -103.71 148.16 26.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.116 -1.226 . . . . 0.0 109.21 179.396 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.8 t -109.71 122.01 46.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.3 -0.875 . . . . 0.0 111.296 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -108.5 94.66 5.18 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.8 m -109.42 151.05 27.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.343 -0.848 . . . . 0.0 111.488 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -153.0 153.67 33.4 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.372 0.606 . . . . 0.0 109.974 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 48.9 t -132.94 129.25 38.04 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.56 -0.713 . . . . 0.0 109.376 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -138.17 178.62 6.99 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.442 -0.786 . . . . 0.0 111.082 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.486 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 20.0 mmt180 54.16 61.87 2.85 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.378 0.609 . . . . 0.0 110.16 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.1 m . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.501 -179.705 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.879 0 CA-C-O 120.964 0.411 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.11 -41.97 93.73 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.56 -0.712 . . . . 0.0 110.957 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.4 p -68.62 -36.09 78.18 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.23 -0.918 . . . . 0.0 110.24 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -66.91 -42.55 85.25 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.372 -0.83 . . . . 0.0 109.269 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.9 m -68.88 -31.46 70.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.767 -0.583 . . . . 0.0 109.949 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.466 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 10.5 tttt -63.65 -44.15 94.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.495 -0.753 . . . . 0.0 109.153 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.67 -37.82 93.93 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.79 -41.33 97.6 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.535 -0.979 . . . . 0.0 110.222 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -68.48 -39.4 81.36 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.392 -0.818 . . . . 0.0 109.307 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -41.04 97.16 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.505 -0.747 . . . . 0.0 109.021 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.57 -29.63 70.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.677 -0.64 . . . . 0.0 109.806 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.96 8.84 18.89 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.563 -0.71 . . . . 0.0 110.468 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 3.2 ttm180 65.48 54.01 1.19 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.604 -0.685 . . . . 0.0 110.086 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.487 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 86.1 m -124.6 143.71 50.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.512 -0.743 . . . . 0.0 110.405 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.59 3.23 53.42 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -142.81 142.94 31.96 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.944 -1.327 . . . . 0.0 110.461 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.466 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 3.0 p90 -155.88 151.99 27.77 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.363 -0.836 . . . . 0.0 110.327 179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.518 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 33.1 t -120.38 148.46 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.59 -0.694 . . . . 0.0 109.595 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.1 p -152.82 132.55 13.15 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.363 -0.835 . . . . 0.0 110.558 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 t -150.55 132.32 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.655 -0.653 . . . . 0.0 109.932 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.34 127.52 53.95 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.061 -1.024 . . . . 0.0 109.737 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -142.06 130.3 22.23 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.36 -0.838 . . . . 0.0 111.474 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.78 29.84 6.28 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.938 -0.476 . . . . 0.0 111.694 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.24 18.1 63.34 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -116.62 144.15 44.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.272 -1.134 . . . . 0.0 109.375 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -107.69 123.48 48.58 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.292 -0.88 . . . . 0.0 111.102 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -107.78 100.16 9.56 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.4 m -114.49 153.63 29.65 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.294 -0.879 . . . . 0.0 111.719 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -147.02 158.12 43.83 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.356 0.598 . . . . 0.0 109.991 179.84 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.486 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 16.2 t -139.88 126.17 20.07 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.3 mt -138.54 -178.93 5.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.451 -0.78 . . . . 0.0 111.1 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 54.16 57.46 5.89 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 121.353 0.597 . . . . 0.0 109.942 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 14' ' ' ARG . 57.1 m . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.695 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.495 1.793 0 CA-C-O 121.257 0.551 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.35 -49.94 71.9 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.441 -0.787 . . . . 0.0 110.478 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.36 76.19 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.705 -0.622 . . . . 0.0 110.752 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.6 m -63.54 -40.75 97.81 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.436 -0.79 . . . . 0.0 109.995 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 ttp-105 -67.73 -40.49 84.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.418 -0.801 . . . . 0.0 109.142 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.7 m -67.08 -36.21 81.49 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.736 -0.602 . . . . 0.0 109.934 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.529 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 2.4 ttmt -62.36 -41.2 98.42 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.597 -0.689 . . . . 0.0 109.774 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.08 -37.34 87.19 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -61.99 -41.21 97.79 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.506 -0.997 . . . . 0.0 110.248 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.485 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -67.52 -42.53 82.63 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.463 -0.773 . . . . 0.0 109.586 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -40.0 94.58 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.469 -0.769 . . . . 0.0 109.247 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.67 70.84 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.748 -0.595 . . . . 0.0 109.721 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -88.0 9.84 21.02 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.578 -0.701 . . . . 0.0 110.607 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 7.2 ttp180 65.45 53.96 1.2 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.547 -0.721 . . . . 0.0 110.182 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 85.7 m -122.68 145.35 48.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.322 -0.861 . . . . 0.0 110.225 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.67 -6.72 49.51 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 120.405 -0.902 . . . . 0.0 110.868 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.457 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 0.8 OUTLIER -133.46 141.58 47.88 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.931 -1.334 . . . . 0.0 110.701 -179.758 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.529 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 2.0 p90 -154.4 148.84 26.18 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.455 -0.778 . . . . 0.0 110.201 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.576 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 22.5 t -119.22 147.2 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.579 -0.701 . . . . 0.0 109.544 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -152.24 128.6 10.6 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.44 -0.787 . . . . 0.0 110.509 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 t -148.51 130.44 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.607 -0.683 . . . . 0.0 110.104 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tt -108.42 124.44 50.4 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.155 -0.966 . . . . 0.0 109.499 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -145.05 136.51 25.22 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.473 -0.767 . . . . 0.0 111.208 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 53.49 29.78 9.53 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.742 -0.599 . . . . 0.0 111.406 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.06 19.3 75.17 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.83 144.79 45.06 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.354 -1.086 . . . . 0.0 109.325 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -107.21 124.96 50.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.309 -0.87 . . . . 0.0 111.0 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -109.26 96.3 6.2 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.2 m -111.73 153.85 25.88 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.335 -0.853 . . . . 0.0 111.487 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.576 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -152.08 152.85 32.89 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.253 0.549 . . . . 0.0 110.129 179.691 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 32.3 t -135.08 129.84 34.63 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.5 mt -141.05 -176.71 4.79 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.51 -0.744 . . . . 0.0 110.757 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.457 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER 54.17 53.99 10.23 Favored 'General case' 0 N--CA 1.5 2.075 0 CA-C-O 121.317 0.579 . . . . 0.0 110.109 -179.613 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 14' ' ' ARG . 58.2 m . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 117.837 -1.077 . . . . 0.0 110.762 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 120.938 0.399 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.2 t -57.65 -37.99 74.29 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.561 -0.712 . . . . 0.0 110.648 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.86 -35.69 81.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.363 -0.836 . . . . 0.0 110.53 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.1 m -70.72 -38.38 73.6 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.355 -0.84 . . . . 0.0 110.253 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -69.26 -38.97 78.7 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.536 -0.727 . . . . 0.0 109.746 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.1 m -68.84 -34.69 75.9 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.665 -0.647 . . . . 0.0 110.204 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -64.85 -40.61 95.43 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.437 -0.79 . . . . 0.0 109.075 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.59 -41.28 99.55 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -61.41 -46.82 88.55 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.651 -0.911 . . . . 0.0 109.562 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -65.07 -37.93 89.13 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.662 -0.649 . . . . 0.0 109.371 178.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -41.14 97.14 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.621 -0.674 . . . . 0.0 109.587 178.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.86 86.29 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.863 -0.523 . . . . 0.0 110.193 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 8.9 ttt180 -80.69 4.88 17.3 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.415 -0.803 . . . . 0.0 110.786 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 66.44 49.12 1.43 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.454 -0.779 . . . . 0.0 110.507 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.581 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 78.4 m -106.7 146.32 30.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.445 -0.784 . . . . 0.0 110.246 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.19 -0.71 54.34 Favored Glycine 0 N--CA 1.49 2.293 0 C-N-CA 120.481 -0.866 . . . . 0.0 110.943 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.589 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 10.9 t80 -138.71 147.86 43.24 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.834 -1.392 . . . . 0.0 110.827 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -154.45 146.77 23.88 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.577 -0.702 . . . . 0.0 109.929 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 60.9 t -123.73 110.18 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.389 -0.819 . . . . 0.0 109.737 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 82.7 p -118.49 136.24 53.92 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.238 -0.914 . . . . 0.0 110.656 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.62 128.4 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.692 -0.63 . . . . 0.0 110.027 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.64 110.1 21.05 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.265 -0.897 . . . . 0.0 109.458 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -149.34 158.15 43.93 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.547 -0.721 . . . . 0.0 110.486 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 52.88 30.18 8.81 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.735 -0.603 . . . . 0.0 110.969 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.66 30.68 78.36 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HD2' ' CZ ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -138.46 149.06 45.07 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.566 -0.961 . . . . 0.0 109.692 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.1 t -105.64 122.53 46.24 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.388 -0.82 . . . . 0.0 110.761 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.466 ' CZ ' ' HD2' ' A' ' 26' ' ' ARG . 76.0 m-85 -106.32 98.4 8.09 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.1 m -109.76 152.57 25.5 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.505 -0.747 . . . . 0.0 111.581 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -149.57 152.3 35.28 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.232 0.539 . . . . 0.0 110.028 179.803 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.563 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 48.6 t -132.9 127.58 34.69 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.562 -0.711 . . . . 0.0 109.252 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.7 mt -138.0 -176.57 4.48 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.454 -0.779 . . . . 0.0 110.898 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.589 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 0.5 OUTLIER 55.17 47.55 21.5 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.723 -0.61 . . . . 0.0 110.29 -179.76 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 60.1 m . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.824 -1.084 . . . . 0.0 110.746 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 120.861 0.363 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.1 t -57.43 -38.99 75.29 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.546 -0.721 . . . . 0.0 110.775 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.58 93.87 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.392 -0.817 . . . . 0.0 110.505 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 t -66.21 -39.3 89.54 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.361 -0.837 . . . . 0.0 109.77 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.7 mtt-85 -63.07 -40.74 98.58 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.61 -0.681 . . . . 0.0 109.962 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.7 m -66.77 -35.94 81.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.49 -0.756 . . . . 0.0 110.283 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -61.9 -41.89 98.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.533 -0.73 . . . . 0.0 109.329 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.36 -39.78 96.06 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -63.18 -42.12 99.31 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.505 -0.997 . . . . 0.0 109.85 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -68.16 -41.89 80.88 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.537 -0.727 . . . . 0.0 109.336 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -39.4 93.64 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.341 -0.85 . . . . 0.0 109.233 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.73 -29.99 71.15 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.657 -0.652 . . . . 0.0 109.697 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.2 mtt-85 -87.99 10.05 20.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.648 -0.657 . . . . 0.0 110.281 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.35 55.82 1.37 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.641 -0.662 . . . . 0.0 110.434 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 79.4 m -123.24 146.21 48.02 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.384 -0.822 . . . . 0.0 110.352 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.11 -2.28 51.55 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.4 t80 -138.01 143.17 40.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.94 -1.33 . . . . 0.0 110.464 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -156.74 146.14 20.53 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.342 -0.848 . . . . 0.0 110.128 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.488 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 25.1 t -115.95 150.75 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.67 -0.644 . . . . 0.0 109.54 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.4 p -155.32 135.09 12.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.355 -0.841 . . . . 0.0 110.774 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -151.85 130.54 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.783 -0.573 . . . . 0.0 109.712 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -107.87 115.91 30.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.065 -1.022 . . . . 0.0 109.893 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -137.15 137.92 39.71 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.561 -0.712 . . . . 0.0 111.053 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 52.78 32.24 11.88 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.805 -0.559 . . . . 0.0 111.307 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.14 17.75 80.19 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.74 146.56 44.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.309 -1.112 . . . . 0.0 109.449 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -106.81 124.81 50.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.401 -0.812 . . . . 0.0 111.218 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -108.51 96.16 6.15 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 16.4 m -115.17 157.07 24.15 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.263 -0.898 . . . . 0.0 111.794 -178.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -149.31 153.61 37.75 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.335 0.588 . . . . 0.0 109.897 179.782 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 21.6 t -131.02 128.08 39.62 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.529 -0.732 . . . . 0.0 109.424 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mt -138.72 -177.35 4.83 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.475 -0.766 . . . . 0.0 110.987 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.569 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 9.5 mmt180 54.34 52.62 12.18 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.293 0.568 . . . . 0.0 110.239 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 56.9 m . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.656 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 120.861 0.362 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 t -57.53 -44.33 85.04 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.375 -0.828 . . . . 0.0 110.174 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.63 -38.37 87.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.61 -0.681 . . . . 0.0 110.267 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.0 m -63.97 -41.07 97.66 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.503 -0.748 . . . . 0.0 110.113 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -65.73 -41.79 91.78 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.506 -0.746 . . . . 0.0 109.328 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.5 m -64.37 -35.56 81.29 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.79 -0.569 . . . . 0.0 110.142 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.497 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 9.6 ttmm -62.14 -43.79 98.05 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.618 -0.676 . . . . 0.0 109.379 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.31 -37.68 94.2 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -61.09 -40.91 95.48 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.561 -0.964 . . . . 0.0 110.146 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -69.5 -40.32 77.08 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.424 -0.797 . . . . 0.0 109.465 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -38.91 92.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.503 -0.748 . . . . 0.0 109.061 178.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.04 -27.98 67.84 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.825 -0.547 . . . . 0.0 109.673 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 1.9 mmm180 -88.34 9.25 23.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.436 -0.79 . . . . 0.0 110.363 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 13' ' ' ARG . 26.6 ttp-105 63.54 58.13 1.37 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.636 -0.665 . . . . 0.0 109.945 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.548 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 79.9 m -128.95 146.02 51.07 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.537 -0.727 . . . . 0.0 110.295 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.82 8.35 46.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.527 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 2.4 t80 -145.64 144.11 30.24 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.934 -1.333 . . . . 0.0 110.425 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.497 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 2.6 p90 -160.08 149.0 17.35 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.423 -0.798 . . . . 0.0 110.25 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.497 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 25.5 t -116.62 147.24 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.543 -0.723 . . . . 0.0 109.508 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -151.49 131.56 13.47 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.311 -0.868 . . . . 0.0 110.553 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -148.61 126.45 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.578 -0.701 . . . . 0.0 109.988 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -108.69 116.81 32.68 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.286 -0.884 . . . . 0.0 109.487 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -148.33 147.26 29.09 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.471 -0.768 . . . . 0.0 111.124 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 51.06 33.04 8.43 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.897 -0.502 . . . . 0.0 111.315 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.64 28.17 73.33 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.433 ' HG2' ' CZ ' ' A' ' 28' ' ' TYR . 2.7 tpt180 -129.25 142.17 50.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.587 -0.949 . . . . 0.0 109.449 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.0 t -107.54 122.73 47.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.387 -0.821 . . . . 0.0 110.821 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.433 ' CZ ' ' HG2' ' A' ' 26' ' ' ARG . 97.5 m-85 -108.39 95.86 5.96 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.5 m -109.75 159.13 17.43 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.493 -0.755 . . . . 0.0 111.514 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.497 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.7 OUTLIER -156.65 150.46 24.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.317 0.58 . . . . 0.0 110.158 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 49.5 t -131.32 126.39 35.18 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.567 -0.708 . . . . 0.0 109.093 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 mp -137.6 -177.99 5.04 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.465 -0.772 . . . . 0.0 111.297 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.527 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 16.6 mmt180 53.63 59.29 4.42 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 121.364 0.602 . . . . 0.0 109.964 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 63.1 m . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.624 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 121.271 0.558 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 t -81.33 -38.23 27.04 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.401 -0.812 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.7 85.83 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.464 -0.773 . . . . 0.0 110.565 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 p -66.06 -39.26 89.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.35 -0.844 . . . . 0.0 109.916 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -61.63 -42.44 98.9 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.605 -0.684 . . . . 0.0 109.652 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.1 m -65.94 -36.66 83.97 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.412 -0.805 . . . . 0.0 109.972 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -60.69 -42.91 98.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.701 -0.624 . . . . 0.0 109.556 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.1 -38.16 93.73 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -64.06 -40.01 95.32 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.537 -0.978 . . . . 0.0 110.091 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.0 t -71.69 -39.76 70.0 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.522 -0.736 . . . . 0.0 109.454 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -39.29 89.42 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.495 -0.753 . . . . 0.0 109.181 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.24 -29.06 69.23 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.691 -0.63 . . . . 0.0 109.988 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -88.52 11.01 18.33 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.473 -0.767 . . . . 0.0 110.596 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 6.1 tmm_? 65.07 57.18 0.97 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.525 -0.734 . . . . 0.0 110.415 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 81.0 m -128.62 146.77 50.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.371 -0.831 . . . . 0.0 110.185 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.63 -9.85 39.59 Favored Glycine 0 N--CA 1.492 2.39 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.039 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -129.09 142.98 50.72 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.87 -1.37 . . . . 0.0 110.643 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -157.11 145.37 19.44 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.449 -0.782 . . . . 0.0 110.153 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.578 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 27.1 t -115.42 150.74 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.55 -0.719 . . . . 0.0 109.683 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.2 p -153.49 135.67 14.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.39 -0.819 . . . . 0.0 110.606 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.6 t -150.71 130.37 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.693 -0.63 . . . . 0.0 109.877 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -109.03 111.85 23.72 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.137 -0.977 . . . . 0.0 109.63 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -145.79 151.74 38.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.577 -0.702 . . . . 0.0 110.678 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 53.09 28.55 6.98 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.893 -0.505 . . . . 0.0 111.44 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.72 26.37 74.5 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.86 147.7 52.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.496 -1.002 . . . . 0.0 109.585 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 t -105.65 121.34 43.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.384 -0.823 . . . . 0.0 110.671 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -106.25 100.07 9.62 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 17.4 m -117.83 160.65 21.02 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.308 -0.87 . . . . 0.0 111.74 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.578 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 7.2 mttt -151.37 157.22 42.16 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.393 0.616 . . . . 0.0 110.095 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.2 t -135.45 128.79 32.14 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.67 -0.644 . . . . 0.0 109.457 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 mt -140.96 -177.71 5.22 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.458 -0.776 . . . . 0.0 110.943 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.6 mmm-85 55.19 56.36 6.56 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.818 -0.552 . . . . 0.0 110.004 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.2 m . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 117.879 -1.058 . . . . 0.0 110.374 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 121.468 0.651 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.55 -38.29 77.39 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.466 -0.771 . . . . 0.0 110.277 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.5 97.05 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.587 -0.696 . . . . 0.0 111.105 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.7 p -69.21 -36.64 77.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.224 -0.923 . . . . 0.0 110.434 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -72.47 -39.15 67.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.511 -0.743 . . . . 0.0 109.579 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -68.39 -36.23 78.84 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.638 -0.664 . . . . 0.0 109.79 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 18' ' ' TYR . 6.5 tttp -62.65 -41.64 99.16 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.711 -0.618 . . . . 0.0 109.391 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.68 -39.23 96.54 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.93 -36.44 81.39 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.553 -0.969 . . . . 0.0 110.329 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.7 t -70.9 -40.49 72.14 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.486 -0.759 . . . . 0.0 109.443 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -41.02 98.32 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.48 -0.762 . . . . 0.0 109.28 178.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.54 -29.06 70.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.619 -0.676 . . . . 0.0 109.845 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -87.69 10.47 18.05 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.532 -0.73 . . . . 0.0 110.52 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER 63.71 56.65 1.51 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.525 -0.735 . . . . 0.0 110.224 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 77.4 m -125.88 144.28 50.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.4 -0.813 . . . . 0.0 110.466 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.24 -0.87 50.95 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 27.5 t80 -137.01 149.03 47.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.933 -1.333 . . . . 0.0 110.153 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 7' ' ' LYS . 8.9 p90 -157.31 156.95 33.26 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.468 -0.77 . . . . 0.0 110.372 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 29.8 t -129.05 144.23 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.67 -0.644 . . . . 0.0 109.381 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.5 p -150.84 132.69 15.06 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.336 -0.852 . . . . 0.0 110.42 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.3 t -150.2 130.7 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.565 -0.71 . . . . 0.0 110.043 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.92 115.39 29.98 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.189 -0.944 . . . . 0.0 109.435 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -131.24 129.57 41.77 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.389 -0.819 . . . . 0.0 111.574 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.73 30.81 11.74 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.747 -0.596 . . . . 0.0 111.566 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.08 10.12 81.14 Favored Glycine 0 N--CA 1.495 2.567 0 C-N-CA 120.306 -0.949 . . . . 0.0 110.88 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -110.81 144.27 40.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.199 -1.177 . . . . 0.0 109.356 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.3 t -107.53 122.81 47.4 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.33 -0.856 . . . . 0.0 111.326 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -107.8 98.58 8.15 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.8 m -111.94 153.89 26.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.422 -0.799 . . . . 0.0 111.55 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -150.41 152.81 34.9 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.415 0.626 . . . . 0.0 110.248 179.631 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 20.7 t -130.79 127.45 38.71 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mp -137.59 -177.89 4.99 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.393 -0.817 . . . . 0.0 111.052 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 7.1 mmt-85 54.39 53.22 11.15 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-O 121.325 0.583 . . . . 0.0 110.239 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 56.3 m . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 117.796 -1.097 . . . . 0.0 110.655 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 120.976 0.417 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 t -59.76 -44.58 93.78 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.551 -0.718 . . . . 0.0 110.03 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.55 -35.24 79.85 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.542 -0.723 . . . . 0.0 110.449 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 t -69.12 -37.73 78.5 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.416 -0.802 . . . . 0.0 110.216 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.6 -40.01 80.63 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.338 -0.851 . . . . 0.0 109.711 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.4 m -66.99 -35.62 80.36 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.632 -0.668 . . . . 0.0 109.867 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -61.77 -42.84 99.5 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.599 -0.688 . . . . 0.0 109.252 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.66 -39.79 98.35 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -60.08 -46.42 89.62 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.533 -0.981 . . . . 0.0 109.855 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.0 t -66.33 -40.34 89.81 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.712 -0.617 . . . . 0.0 109.586 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.34 -37.76 86.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.391 -0.818 . . . . 0.0 109.436 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.36 72.13 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.556 -0.715 . . . . 0.0 110.057 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.07 10.54 18.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.393 -0.817 . . . . 0.0 110.482 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.59 58.69 1.01 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.599 -0.688 . . . . 0.0 110.555 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.551 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 80.7 m -122.27 143.29 49.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.255 -0.903 . . . . 0.0 109.835 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.69 7.22 57.58 Favored Glycine 0 N--CA 1.492 2.38 0 C-N-CA 120.367 -0.921 . . . . 0.0 110.955 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.517 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 2.1 t80 -148.53 144.36 27.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.897 -1.355 . . . . 0.0 110.437 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -159.8 151.08 19.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.438 -0.789 . . . . 0.0 110.266 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 30.0 t -118.92 147.07 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.608 -0.683 . . . . 0.0 109.634 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.5 p -152.48 132.33 13.28 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.373 -0.829 . . . . 0.0 110.378 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.3 t -150.73 131.23 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.707 -0.621 . . . . 0.0 110.188 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.71 126.57 53.14 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.193 -0.942 . . . . 0.0 109.726 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -142.26 127.1 18.2 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.376 -0.828 . . . . 0.0 111.213 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 53.78 26.52 6.1 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.866 -0.521 . . . . 0.0 111.831 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.39 12.37 65.17 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.57 136.42 50.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.276 -1.132 . . . . 0.0 109.171 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 t -104.99 124.26 49.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.318 -0.864 . . . . 0.0 111.141 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -107.39 97.73 7.45 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.6 m -113.16 150.97 31.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.276 -0.89 . . . . 0.0 111.531 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 6.6 tttt -149.68 154.14 38.1 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.295 0.569 . . . . 0.0 110.093 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 49.6 t -133.34 129.15 37.1 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.525 -0.734 . . . . 0.0 109.547 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp -138.26 -178.84 5.46 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.47 -0.769 . . . . 0.0 111.094 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 11.5 mmt180 53.56 53.63 11.26 Favored 'General case' 0 N--CA 1.501 2.096 0 CA-C-O 121.327 0.584 . . . . 0.0 110.412 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 63.7 m . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.457 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 120.898 0.38 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.8 t -59.37 -41.85 90.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.502 -0.749 . . . . 0.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.73 -40.55 92.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.633 -0.667 . . . . 0.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -64.87 -38.51 91.21 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.451 -0.78 . . . . 0.0 110.281 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -40.84 88.56 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.612 -0.68 . . . . 0.0 109.558 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.4 m -64.86 -37.64 88.31 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.673 -0.642 . . . . 0.0 110.309 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -61.85 -42.7 99.36 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.555 -0.716 . . . . 0.0 109.546 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.64 -38.32 95.52 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -63.03 -44.71 95.18 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.463 -1.022 . . . . 0.0 109.969 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.7 t -65.78 -39.41 90.96 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.523 -0.736 . . . . 0.0 109.656 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -39.82 89.38 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.335 -0.853 . . . . 0.0 109.216 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.51 -25.57 65.91 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.752 -0.592 . . . . 0.0 109.766 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 8.7 mmp_? -89.39 8.58 30.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.539 -0.726 . . . . 0.0 110.521 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 7.1 tpm_? 64.18 56.5 1.35 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.545 -0.722 . . . . 0.0 110.086 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.5 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 78.8 m -125.28 145.59 49.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.445 -0.784 . . . . 0.0 110.182 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.04 -0.78 51.56 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.56 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.2 t80 -139.81 142.95 36.64 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.86 -1.376 . . . . 0.0 110.687 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -156.16 148.48 23.52 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.409 -0.807 . . . . 0.0 110.207 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.59 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 34.1 t -119.27 148.19 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.596 -0.69 . . . . 0.0 109.482 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.8 p -151.62 134.94 16.02 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.329 -0.857 . . . . 0.0 110.679 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -151.54 128.76 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.645 -0.659 . . . . 0.0 109.94 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 tt -109.16 110.05 21.18 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -148.38 157.3 43.39 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.501 -0.749 . . . . 0.0 110.703 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 ttt-85 52.13 31.41 8.95 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.832 -0.542 . . . . 0.0 111.022 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.91 32.29 83.68 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -138.99 149.95 45.3 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.542 -0.975 . . . . 0.0 109.974 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -106.89 122.58 46.69 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.575 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -107.6 101.0 10.36 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.6 m -117.44 154.91 30.57 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.385 -0.822 . . . . 0.0 111.431 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.59 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -148.59 151.61 35.35 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.335 0.588 . . . . 0.0 109.931 179.628 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 37.3 t -132.77 127.44 34.63 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.552 -0.717 . . . . 0.0 109.342 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.4 mt -139.66 -174.8 3.99 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.48 -0.762 . . . . 0.0 110.794 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 16.3 mmt85 55.83 49.16 16.64 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-O 121.37 0.605 . . . . 0.0 109.994 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 14' ' ' ARG . 46.3 m . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.643 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 120.867 0.365 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.5 t -59.91 -41.58 92.0 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.426 -0.796 . . . . 0.0 110.614 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.91 93.03 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.518 -0.739 . . . . 0.0 110.444 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m -64.61 -39.34 93.54 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.381 -0.824 . . . . 0.0 110.172 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -67.02 -40.65 87.32 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.408 -0.808 . . . . 0.0 109.556 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.9 m -65.18 -37.47 87.45 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.733 -0.605 . . . . 0.0 110.1 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -61.16 -42.51 98.69 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.595 -0.691 . . . . 0.0 109.4 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.26 -38.59 95.29 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.206 -1.558 . . . . 0.0 109.206 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.19 -41.64 98.54 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.506 -0.997 . . . . 0.0 110.239 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -70.43 -40.11 73.98 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.525 -0.734 . . . . 0.0 109.121 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -64.38 -39.82 94.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.567 -0.708 . . . . 0.0 109.181 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.89 73.21 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.663 -0.648 . . . . 0.0 110.108 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.12 10.19 17.5 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.394 -0.816 . . . . 0.0 110.682 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 64.64 55.43 1.29 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.62 -0.675 . . . . 0.0 110.328 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.504 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 82.5 m -121.01 143.83 48.84 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.302 -0.874 . . . . 0.0 110.277 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.68 5.11 54.02 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.435 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 2.3 t80 -144.13 142.71 30.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.977 -1.308 . . . . 0.0 110.5 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -158.53 148.63 19.78 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.34 -0.85 . . . . 0.0 110.32 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 22.8 t -117.08 149.32 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.621 -0.674 . . . . 0.0 109.553 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.4 p -153.02 133.56 13.72 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.396 -0.815 . . . . 0.0 110.629 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -151.37 128.91 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.626 -0.671 . . . . 0.0 109.896 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.06 109.82 20.93 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.228 -0.92 . . . . 0.0 109.331 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -146.52 154.56 41.69 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.478 -0.764 . . . . 0.0 110.952 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 52.72 29.87 8.05 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.914 -0.491 . . . . 0.0 111.361 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.58 30.51 74.95 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.404 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 2.3 tpt180 -137.18 149.38 47.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.513 -0.993 . . . . 0.0 109.929 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.6 t -107.33 121.41 44.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.429 -0.794 . . . . 0.0 110.616 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 26' ' ' ARG . 83.4 m-85 -106.77 99.72 9.27 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.5 m -114.42 156.97 23.52 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.351 -0.843 . . . . 0.0 111.445 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -149.8 154.36 38.3 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.287 0.565 . . . . 0.0 110.164 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.458 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 27.9 t -135.07 128.88 33.08 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.668 -0.645 . . . . 0.0 109.293 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.6 mt -141.65 -179.12 5.98 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.315 -0.866 . . . . 0.0 111.089 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.435 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 4.6 mmp_? 54.53 56.2 7.1 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.435 0.636 . . . . 0.0 110.177 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 59.6 m . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.753 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 120.979 0.418 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.1 -42.6 99.38 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.588 -0.695 . . . . 0.0 109.778 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.19 86.66 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.556 -0.715 . . . . 0.0 110.211 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 t -65.84 -39.77 91.13 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.333 -0.854 . . . . 0.0 110.122 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -68.34 -40.64 81.49 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.544 -0.722 . . . . 0.0 109.801 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -65.45 -35.8 82.0 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.674 -0.641 . . . . 0.0 110.551 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -63.78 -41.99 97.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.325 -0.859 . . . . 0.0 109.343 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.33 -39.27 96.84 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -61.42 -47.6 85.05 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.503 -0.998 . . . . 0.0 109.8 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.8 t -63.49 -40.85 98.19 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.606 -0.684 . . . . 0.0 109.661 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -38.35 87.85 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.39 -0.819 . . . . 0.0 109.459 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.14 -34.9 77.26 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.628 -0.67 . . . . 0.0 109.728 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' A' ' 14' ' ' ARG . 5.2 ttt180 -83.14 6.15 20.2 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.559 -0.713 . . . . 0.0 110.406 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 2.9 tpp180 69.15 49.29 0.63 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.607 -0.683 . . . . 0.0 110.408 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.533 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 83.1 m -113.04 148.37 35.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.357 -0.839 . . . . 0.0 110.251 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.04 -7.36 41.2 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.432 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.9 t80 -131.43 142.56 50.04 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.875 -1.368 . . . . 0.0 110.47 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -157.85 147.01 19.61 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.363 -0.835 . . . . 0.0 110.177 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.424 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 43.8 t -118.47 148.9 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.572 -0.705 . . . . 0.0 109.592 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -152.49 132.94 13.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.326 -0.859 . . . . 0.0 110.359 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -151.49 129.85 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.535 -0.728 . . . . 0.0 110.153 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -107.89 109.79 21.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.197 -0.94 . . . . 0.0 109.339 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -138.47 147.72 43.55 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.47 -0.769 . . . . 0.0 110.893 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 53.34 30.44 10.23 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.803 -0.561 . . . . 0.0 111.141 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.09 24.51 75.87 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -126.43 149.23 49.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.505 -0.997 . . . . 0.0 109.454 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -106.59 123.58 48.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.395 -0.816 . . . . 0.0 110.968 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -106.99 96.51 6.48 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.8 m -112.22 151.96 28.97 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.36 -0.838 . . . . 0.0 111.337 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -148.4 154.18 39.57 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.299 0.571 . . . . 0.0 110.197 179.683 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 38.2 t -136.16 131.11 34.25 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.552 -0.717 . . . . 0.0 109.384 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.0 mt -142.49 -178.43 5.76 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.418 -0.801 . . . . 0.0 110.86 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 3.3 mmm180 54.14 53.98 10.26 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 121.245 0.545 . . . . 0.0 110.188 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 62.4 m . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.548 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 120.811 0.339 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 t -57.29 -38.91 74.69 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.45 -0.781 . . . . 0.0 110.653 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.94 96.44 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.571 -0.705 . . . . 0.0 110.366 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 m -64.64 -40.02 94.73 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.548 -0.72 . . . . 0.0 110.347 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -65.69 -40.38 92.24 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.456 -0.778 . . . . 0.0 109.421 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.6 m -72.18 -33.51 67.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.586 -0.696 . . . . 0.0 109.589 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -65.07 -40.56 94.86 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.623 -0.673 . . . . 0.0 109.228 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.5 -40.62 98.96 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.78 -43.89 97.62 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.638 -0.919 . . . . 0.0 109.555 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.586 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 7.9 t -66.19 -41.07 90.74 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.612 -0.68 . . . . 0.0 109.444 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -39.7 94.3 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.651 -0.656 . . . . 0.0 109.322 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.24 -35.27 78.44 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.634 -0.666 . . . . 0.0 109.793 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -80.75 6.49 12.78 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.526 -0.734 . . . . 0.0 110.458 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.77 49.1 0.72 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.721 -0.612 . . . . 0.0 110.433 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.586 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.7 m -115.71 144.92 43.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.357 -0.839 . . . . 0.0 110.301 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.48 -6.97 49.75 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.188 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.522 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.1 t80 -130.06 144.65 51.46 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.921 -1.341 . . . . 0.0 110.604 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -152.23 145.35 24.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.493 -0.755 . . . . 0.0 110.245 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.2 t -121.4 110.39 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.598 -0.689 . . . . 0.0 109.702 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.4 p -119.17 139.25 52.14 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.338 -0.851 . . . . 0.0 110.786 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t -149.57 145.75 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.609 -0.682 . . . . 0.0 110.203 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -124.46 125.18 43.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.276 -0.89 . . . . 0.0 109.568 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -148.09 134.51 19.63 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.401 -0.812 . . . . 0.0 111.021 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 54.48 25.92 6.63 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.959 -0.463 . . . . 0.0 111.594 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.27 15.72 68.52 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -115.7 140.33 49.3 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.197 -1.178 . . . . 0.0 109.433 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -107.54 122.63 47.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.393 -0.817 . . . . 0.0 110.893 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 45.4 m-85 -107.32 103.13 12.41 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.6 m -111.45 152.54 27.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.355 -0.841 . . . . 0.0 111.736 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.4 155.13 38.0 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.392 0.615 . . . . 0.0 110.12 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.563 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 46.2 t -134.93 133.02 39.15 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.623 -0.673 . . . . 0.0 109.674 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.5 mt -141.89 -178.83 5.87 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.493 -0.755 . . . . 0.0 110.743 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 15.8 mmt180 53.89 58.84 4.71 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.403 0.621 . . . . 0.0 109.948 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.4 m . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.498 -179.468 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.496 1.871 0 CA-C-O 120.889 0.376 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.2 t -58.71 -43.65 90.15 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.467 -0.77 . . . . 0.0 109.947 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.44 -37.05 77.12 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.594 -0.691 . . . . 0.0 110.243 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -63.62 -42.48 98.19 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.579 -0.701 . . . . 0.0 110.072 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -41.11 81.28 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.543 -0.723 . . . . 0.0 109.55 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.3 m -67.41 -33.34 74.98 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.735 -0.603 . . . . 0.0 109.695 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HD3' ' CZ ' ' A' ' 18' ' ' TYR . 1.3 tptt -62.71 -44.29 96.6 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.35 -40.1 98.61 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -61.44 -43.97 97.94 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.543 -0.975 . . . . 0.0 109.946 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 3.3 t -68.89 -40.96 78.91 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.757 -0.589 . . . . 0.0 109.585 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -37.04 82.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.328 -0.857 . . . . 0.0 109.434 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.39 -31.62 72.31 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.518 -0.739 . . . . 0.0 109.616 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.07 8.78 28.06 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.544 -0.723 . . . . 0.0 110.434 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 65.81 55.04 1.0 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.665 -0.647 . . . . 0.0 110.48 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.8 m -117.96 143.95 45.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.443 -0.786 . . . . 0.0 110.117 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.48 2.55 49.89 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.49 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 3.8 t80 -137.2 142.81 42.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.019 -1.283 . . . . 0.0 110.355 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.403 ' CZ ' ' HD3' ' A' ' 7' ' ' LYS . 4.7 p90 -155.2 140.58 17.72 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.47 -0.769 . . . . 0.0 109.928 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.657 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 51.0 t -117.02 109.66 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.378 -0.826 . . . . 0.0 110.009 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.1 p -117.98 132.52 56.38 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.343 -0.848 . . . . 0.0 110.218 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -145.52 128.5 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.495 -0.753 . . . . 0.0 110.367 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -109.07 108.56 19.3 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.27 -0.894 . . . . 0.0 109.204 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -136.34 143.71 44.26 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.43 -0.794 . . . . 0.0 110.971 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 54.22 30.43 12.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.832 -0.542 . . . . 0.0 111.034 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.45 19.74 79.07 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.518 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -119.86 146.78 45.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.343 -1.092 . . . . 0.0 109.517 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 t -107.92 121.46 44.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.378 -0.826 . . . . 0.0 111.019 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 26' ' ' ARG . 95.0 m-85 -107.57 99.29 8.8 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.7 m -110.15 149.79 29.57 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.439 -0.788 . . . . 0.0 111.431 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.657 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 4.6 mttm -150.42 155.12 38.96 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.29 0.566 . . . . 0.0 109.99 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 37.0 t -133.77 131.65 39.6 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.599 -0.688 . . . . 0.0 109.523 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.1 mt -141.25 178.93 7.07 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.378 -0.826 . . . . 0.0 111.121 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 20.2 mmt180 53.76 60.22 3.8 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.394 0.616 . . . . 0.0 110.215 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.9 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.366 -179.733 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.497 1.892 0 CA-C-O 120.883 0.373 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.31 -37.33 82.84 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.444 -0.785 . . . . 0.0 110.564 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.18 98.9 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.602 -0.686 . . . . 0.0 110.69 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.2 m -66.32 -38.94 88.87 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.439 -0.788 . . . . 0.0 109.97 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -63.66 -43.79 95.71 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.65 -0.656 . . . . 0.0 109.407 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.0 m -68.72 -33.92 74.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.737 -0.602 . . . . 0.0 109.994 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -39.76 94.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.493 -0.754 . . . . 0.0 109.342 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.0 -40.3 97.04 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -62.0 -46.02 91.07 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.594 -0.945 . . . . 0.0 109.661 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 8.1 t -65.03 -42.34 94.45 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.719 -0.613 . . . . 0.0 109.607 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -40.4 96.34 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.474 -0.767 . . . . 0.0 109.079 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.47 -26.82 67.37 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.708 -0.62 . . . . 0.0 109.609 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -87.05 11.04 14.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.456 -0.777 . . . . 0.0 110.44 178.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 13' ' ' ARG . 6.7 ttm180 65.98 56.03 0.89 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.693 -0.629 . . . . 0.0 110.291 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.568 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.6 m -130.9 142.71 50.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.549 -0.719 . . . . 0.0 110.036 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.36 9.19 53.33 Favored Glycine 0 N--CA 1.491 2.335 0 C-N-CA 120.412 -0.899 . . . . 0.0 110.888 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.548 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 22.2 t80 -143.79 148.71 35.98 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.011 -1.287 . . . . 0.0 110.667 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -158.59 149.88 20.74 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.543 -0.723 . . . . 0.0 110.389 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.76 112.92 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.631 -0.668 . . . . 0.0 109.629 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -119.87 141.38 49.62 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.29 -0.882 . . . . 0.0 110.714 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -150.48 128.58 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.699 -0.625 . . . . 0.0 109.935 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -109.57 110.46 21.55 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.285 -0.884 . . . . 0.0 109.427 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -149.72 157.58 43.36 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.513 -0.742 . . . . 0.0 110.705 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 52.38 31.1 9.04 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.842 -0.536 . . . . 0.0 111.1 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.17 32.69 85.02 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -141.39 149.48 41.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.508 -0.995 . . . . 0.0 109.917 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.6 t -106.59 123.23 47.8 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.466 -0.771 . . . . 0.0 110.703 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -107.03 101.51 10.93 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.4 m -111.57 151.88 28.21 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.352 -0.843 . . . . 0.0 111.847 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.56 153.47 38.43 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.332 0.587 . . . . 0.0 109.969 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.49 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 48.9 t -130.74 132.26 45.23 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.5 -0.75 . . . . 0.0 109.499 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.3 mt -141.63 -179.55 6.24 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.416 -0.802 . . . . 0.0 111.136 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 53.8 mmt-85 54.33 58.85 4.59 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.441 0.639 . . . . 0.0 110.142 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.5 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.463 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 121.137 0.494 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 t -61.43 -45.9 92.38 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.573 -0.704 . . . . 0.0 110.575 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.08 -41.18 74.73 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.55 -0.719 . . . . 0.0 110.258 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.9 m -65.74 -39.75 91.42 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.515 -0.741 . . . . 0.0 109.913 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -41.01 98.06 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.514 -0.741 . . . . 0.0 109.943 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.4 m -68.27 -34.56 76.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.596 -0.69 . . . . 0.0 110.239 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -63.59 -42.63 98.26 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.571 -0.705 . . . . 0.0 109.521 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.49 -37.53 90.01 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -61.84 -43.38 98.96 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.603 -0.939 . . . . 0.0 110.264 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.6 t -66.01 -38.31 88.12 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.505 -0.747 . . . . 0.0 109.801 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -65.23 -39.72 93.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.466 -0.771 . . . . 0.0 109.293 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.73 72.99 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.619 -0.675 . . . . 0.0 110.005 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -86.74 9.25 19.48 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.516 -0.74 . . . . 0.0 110.559 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 64.23 55.19 1.49 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.542 -0.724 . . . . 0.0 110.296 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.554 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 82.3 m -124.11 143.5 50.43 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.419 -0.8 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.68 9.33 55.42 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.591 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.6 t80 -146.52 142.65 28.26 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.982 -1.305 . . . . 0.0 110.4 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -157.57 154.77 29.06 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.336 -0.853 . . . . 0.0 110.372 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.491 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 38.7 t -125.33 147.97 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.671 -0.643 . . . . 0.0 109.553 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.3 p -152.85 136.7 16.22 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.328 -0.858 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -151.01 130.6 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.816 -0.552 . . . . 0.0 109.869 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 1.5 tt -107.78 114.53 28.55 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.227 -0.921 . . . . 0.0 109.651 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -128.16 128.14 44.25 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.432 -0.793 . . . . 0.0 111.149 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 55.95 27.36 11.04 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.753 -0.592 . . . . 0.0 111.516 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.27 6.33 78.4 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' A' ' 22' ' ' LEU . 6.8 ttt180 -102.88 156.31 17.74 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.164 -1.198 . . . . 0.0 109.22 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.8 t -117.97 121.61 41.1 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.314 -0.866 . . . . 0.0 111.05 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -108.76 98.84 8.27 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 28.8 m -117.86 157.58 26.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.275 -0.891 . . . . 0.0 111.871 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.491 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -151.27 151.2 31.49 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.306 0.575 . . . . 0.0 109.977 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.511 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 36.6 t -128.85 126.25 39.41 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' HG ' ' C ' ' A' ' 31' ' ' CYS . 26.1 mt -136.69 -180.0 6.03 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.409 -0.807 . . . . 0.0 111.162 -178.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.591 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 87.1 mmt-85 56.12 57.22 5.2 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 121.441 0.639 . . . . 0.0 109.972 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.8 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 117.823 -1.084 . . . . 0.0 110.61 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.195 0.522 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.3 t -62.63 -48.88 77.42 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.56 -0.712 . . . . 0.0 110.523 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.4 77.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.581 -0.699 . . . . 0.0 110.541 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.6 t -64.51 -39.79 94.44 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.457 -0.777 . . . . 0.0 110.187 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -67.97 -40.84 83.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.45 -0.781 . . . . 0.0 109.375 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.3 m -64.59 -37.1 86.39 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.801 -0.562 . . . . 0.0 110.227 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 1.2 ttmt -62.35 -42.09 99.11 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.563 -0.711 . . . . 0.0 109.668 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.61 -38.08 94.26 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -60.7 -47.16 87.52 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.659 -0.906 . . . . 0.0 109.946 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.597 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 3.9 t -63.8 -41.09 97.97 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.51 -0.744 . . . . 0.0 109.47 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 ttp85 -62.8 -42.24 99.62 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.592 -0.693 . . . . 0.0 109.222 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.03 -31.86 71.49 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.753 -0.592 . . . . 0.0 110.077 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -87.65 11.8 14.23 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.449 -0.782 . . . . 0.0 110.573 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 64.7 56.08 1.2 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.609 -0.682 . . . . 0.0 110.428 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.597 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 77.5 m -125.29 142.91 51.22 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.275 -0.891 . . . . 0.0 110.172 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.81 7.66 49.62 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 2.9 t80 -142.31 144.63 33.32 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.049 -1.265 . . . . 0.0 110.191 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 3.1 p90 -162.97 152.0 14.85 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.25 -0.906 . . . . 0.0 110.484 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.411 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 30.8 t -118.61 147.88 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.65 -0.656 . . . . 0.0 109.469 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -151.76 132.32 13.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.316 -0.865 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -150.04 128.97 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.7 -0.625 . . . . 0.0 110.116 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -109.45 111.23 22.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.277 -0.889 . . . . 0.0 109.362 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -148.68 154.41 39.6 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.394 -0.816 . . . . 0.0 110.948 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.81 33.93 9.36 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 121.199 0.523 . . . . 0.0 111.18 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.63 33.25 86.75 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -137.88 144.65 41.46 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.628 -0.925 . . . . 0.0 109.845 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -106.17 121.25 43.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.483 -0.76 . . . . 0.0 110.424 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -106.53 102.06 11.48 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.1 m -115.6 152.68 32.62 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.412 -0.805 . . . . 0.0 111.354 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.411 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 13.3 tttt -147.52 153.72 39.85 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.255 0.55 . . . . 0.0 110.132 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 49.3 t -133.97 127.66 32.82 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.564 -0.71 . . . . 0.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mp -139.4 179.85 6.3 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.364 -0.835 . . . . 0.0 111.279 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 17.6 mmt85 54.36 61.55 2.97 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-O 121.342 0.591 . . . . 0.0 110.102 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.7 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.583 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 121.247 0.546 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -85.19 -39.74 17.49 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.518 -0.739 . . . . 0.0 110.437 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.16 96.96 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.566 -0.709 . . . . 0.0 110.868 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.0 p -66.24 -37.99 86.84 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.381 -0.824 . . . . 0.0 110.371 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -42.19 81.9 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.476 -0.765 . . . . 0.0 109.555 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.4 m -70.81 -32.08 69.03 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.659 -0.651 . . . . 0.0 109.72 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 2.5 ttpt -63.69 -43.54 96.33 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.43 -37.89 93.09 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -59.37 -45.79 90.47 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.589 -0.948 . . . . 0.0 110.117 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.541 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.7 t -62.77 -40.06 96.1 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.503 -0.748 . . . . 0.0 109.633 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -40.93 96.59 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.457 -0.777 . . . . 0.0 109.179 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.83 -28.96 69.37 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.629 -0.669 . . . . 0.0 109.911 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.7 10.39 18.36 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.549 -0.719 . . . . 0.0 110.48 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 63.86 55.32 1.63 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.684 -0.635 . . . . 0.0 110.428 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.541 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 83.2 m -125.66 142.79 51.33 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.329 -0.857 . . . . 0.0 110.344 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.75 8.07 55.98 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.479 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 5.1 t80 -146.61 144.79 29.78 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.93 -1.335 . . . . 0.0 110.354 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.426 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 2.3 p90 -159.63 143.4 14.6 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.324 -0.86 . . . . 0.0 110.087 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 73.2 t -119.97 120.72 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.315 -0.866 . . . . 0.0 109.949 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.8 p -123.45 136.72 54.74 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.218 -0.926 . . . . 0.0 110.467 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 t -149.65 131.54 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.679 -0.638 . . . . 0.0 110.142 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -108.38 117.04 33.12 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.194 -0.941 . . . . 0.0 109.384 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -149.74 155.73 40.65 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.535 -0.728 . . . . 0.0 110.864 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.68 31.38 7.83 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.797 -0.565 . . . . 0.0 110.975 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.32 30.29 77.34 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -135.05 154.57 51.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.542 -0.975 . . . . 0.0 109.692 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.9 t -107.22 124.48 49.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.44 -0.788 . . . . 0.0 110.621 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -107.66 97.53 7.25 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 58.0 m -109.85 145.79 36.18 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.328 -0.857 . . . . 0.0 111.389 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.511 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -143.63 150.04 38.18 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.261 0.553 . . . . 0.0 110.212 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 33.7 t -132.91 126.07 31.29 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mp -135.5 -179.26 5.53 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.395 -0.815 . . . . 0.0 111.117 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.479 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 21.2 mmt180 54.0 57.32 6.08 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.367 0.603 . . . . 0.0 110.155 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 59.8 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.677 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 120.854 0.359 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 t -58.77 -41.38 86.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.534 -0.729 . . . . 0.0 110.693 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.66 91.79 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.525 -0.734 . . . . 0.0 110.493 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.8 m -65.32 -39.27 92.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.381 -0.824 . . . . 0.0 110.342 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -41.84 91.05 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.39 -0.819 . . . . 0.0 109.281 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.0 m -66.44 -35.99 81.67 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.702 -0.624 . . . . 0.0 109.756 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -43.98 95.57 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.68 -0.637 . . . . 0.0 109.503 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.42 -37.69 92.93 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.73 -39.95 90.55 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.575 -0.956 . . . . 0.0 110.19 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.5 t -69.71 -40.47 76.27 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.459 -0.775 . . . . 0.0 109.15 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -41.76 98.27 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.575 -0.703 . . . . 0.0 109.227 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.41 -30.79 71.47 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.804 -0.56 . . . . 0.0 109.921 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -87.58 11.47 14.9 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.483 -0.761 . . . . 0.0 110.469 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 64.17 56.81 1.32 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.657 -0.652 . . . . 0.0 110.35 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.531 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 66.6 m -128.57 144.18 51.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.393 -0.817 . . . . 0.0 110.242 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.35 3.11 43.34 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.424 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 4.2 t80 -138.1 143.46 40.43 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.034 -1.274 . . . . 0.0 110.072 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -160.24 149.64 17.61 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.352 -0.842 . . . . 0.0 110.566 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.45 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 37.1 t -115.38 148.03 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.567 -0.708 . . . . 0.0 109.577 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -152.82 133.29 13.72 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.326 -0.859 . . . . 0.0 110.575 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -151.41 132.28 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.743 -0.598 . . . . 0.0 109.987 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -109.75 109.05 19.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.251 -0.906 . . . . 0.0 109.328 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -143.47 152.17 41.2 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.461 -0.774 . . . . 0.0 110.878 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 52.55 31.22 9.61 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.913 -0.492 . . . . 0.0 111.036 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.71 27.12 73.1 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -131.29 147.79 52.62 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.507 -0.996 . . . . 0.0 109.761 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.3 t -105.66 122.76 46.72 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.511 -0.743 . . . . 0.0 110.213 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -106.6 97.58 7.36 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.9 m -112.89 153.77 27.4 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.535 -0.728 . . . . 0.0 111.484 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -150.64 156.19 40.86 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 121.35 0.595 . . . . 0.0 110.129 179.595 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 22.0 t -133.3 129.21 37.27 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.671 -0.643 . . . . 0.0 109.398 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mp -137.56 177.46 7.85 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.281 -0.887 . . . . 0.0 111.2 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.424 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 6.7 mmt85 52.95 64.29 1.92 Allowed 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 121.363 0.601 . . . . 0.0 110.15 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.0 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 117.854 -1.07 . . . . 0.0 110.535 -179.624 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 4' ' ' SER . 74.8 m . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 120.974 0.416 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.3 t -57.61 -38.77 75.51 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.541 -0.724 . . . . 0.0 110.169 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.01 95.99 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.502 -0.749 . . . . 0.0 110.084 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 1' ' ' SER . 3.3 m -68.08 -39.46 82.89 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.307 -0.87 . . . . 0.0 109.742 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -62.0 -41.61 98.25 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.62 -0.675 . . . . 0.0 109.973 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.1 m -69.48 -33.69 73.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.66 -0.65 . . . . 0.0 110.055 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -42.15 96.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.668 -0.645 . . . . 0.0 109.311 178.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.87 -39.15 96.33 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -63.29 -41.82 99.01 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.524 -0.986 . . . . 0.0 109.895 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.9 t -68.75 -42.57 77.35 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -38.33 90.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.756 -0.59 . . . . 0.0 109.413 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.27 72.56 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.693 -0.629 . . . . 0.0 109.733 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -87.76 6.61 34.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.439 -0.788 . . . . 0.0 110.538 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.3 ttm105 68.12 55.08 0.56 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.614 -0.679 . . . . 0.0 110.191 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.522 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.8 m -118.18 144.36 45.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.508 -0.745 . . . . 0.0 110.057 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.25 4.53 51.8 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 120.496 -0.859 . . . . 0.0 110.982 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.572 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 1.3 t80 -141.14 141.48 34.16 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.969 -1.313 . . . . 0.0 110.451 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -154.76 151.43 28.67 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.385 -0.822 . . . . 0.0 110.493 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 23.9 t -124.23 144.5 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -151.43 134.45 15.84 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.287 -0.883 . . . . 0.0 110.671 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.8 t -149.27 131.04 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.799 -0.563 . . . . 0.0 109.92 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.86 111.35 22.71 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.247 -0.908 . . . . 0.0 109.412 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -149.07 155.43 40.72 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.52 -0.738 . . . . 0.0 110.707 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 52.3 30.63 8.23 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.9 -0.5 . . . . 0.0 111.183 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.44 31.34 79.99 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.43 ' HD2' ' HA ' ' A' ' 26' ' ' ARG . 33.4 tpt85 -138.88 147.6 42.6 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.522 -0.987 . . . . 0.0 109.945 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.9 t -105.75 123.58 48.17 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.497 -0.752 . . . . 0.0 110.571 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -106.97 103.18 12.54 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 31.7 m -117.47 157.12 26.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.322 -0.861 . . . . 0.0 111.858 -178.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.512 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 3.7 ttmm -150.33 151.95 33.69 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.31 0.576 . . . . 0.0 110.071 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 43.5 t -132.28 129.55 39.71 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 mt -141.78 -178.61 5.75 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.342 -0.848 . . . . 0.0 111.065 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.572 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 88.2 mmt-85 54.4 54.91 8.74 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 121.36 0.6 . . . . 0.0 110.176 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.2 m . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 118.289 -0.863 . . . . 0.0 110.398 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 121.174 0.511 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.01 -46.74 86.2 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.49 -0.756 . . . . 0.0 110.519 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.39 -35.25 73.59 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.563 -0.711 . . . . 0.0 110.66 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.98 -41.12 82.83 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.331 -0.855 . . . . 0.0 110.266 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -68.84 -40.48 79.41 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.491 -0.756 . . . . 0.0 109.564 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.1 m -66.88 -34.27 77.42 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.671 -0.643 . . . . 0.0 110.273 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 18' ' ' TYR . 3.8 ttpt -63.68 -42.62 98.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.51 -0.744 . . . . 0.0 109.203 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.9 -38.46 96.13 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.324 -1.511 . . . . 0.0 109.324 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -64.45 -42.22 96.08 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.452 -1.028 . . . . 0.0 109.984 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.597 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 5.2 t -70.78 -41.21 72.0 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.562 -0.711 . . . . 0.0 109.606 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -38.45 88.96 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.4 -0.813 . . . . 0.0 109.389 178.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.47 -28.64 68.74 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.649 -0.657 . . . . 0.0 109.762 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -86.91 9.87 17.98 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.565 -0.709 . . . . 0.0 110.57 179.132 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 13' ' ' ARG . 11.1 ttp180 65.98 54.47 1.01 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.512 -0.742 . . . . 0.0 110.252 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.597 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 74.1 m -124.49 142.26 51.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.239 -0.913 . . . . 0.0 110.189 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.03 8.16 49.35 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.486 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 2.6 t80 -142.02 145.48 34.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.093 -1.239 . . . . 0.0 110.245 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.562 ' CZ ' ' HD3' ' A' ' 7' ' ' LYS . 6.3 p90 -157.94 149.27 21.36 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.377 -0.827 . . . . 0.0 110.503 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.445 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 39.2 t -122.19 110.97 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.315 -0.866 . . . . 0.0 109.9 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.3 p -120.42 130.64 54.43 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.335 -0.853 . . . . 0.0 110.468 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 t -147.49 132.59 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.581 -0.7 . . . . 0.0 110.014 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -108.16 119.34 39.21 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.138 -0.976 . . . . 0.0 109.334 179.394 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -126.81 122.61 35.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.379 -0.826 . . . . 0.0 111.55 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 52.55 30.94 9.17 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.842 -0.536 . . . . 0.0 111.569 178.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.22 6.24 69.13 Favored Glycine 0 N--CA 1.495 2.62 0 C-N-CA 120.3 -0.952 . . . . 0.0 110.762 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -103.71 148.16 26.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.116 -1.226 . . . . 0.0 109.21 179.396 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.8 t -109.71 122.01 46.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.3 -0.875 . . . . 0.0 111.296 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -108.5 94.66 5.18 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.8 m -109.42 151.05 27.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.343 -0.848 . . . . 0.0 111.488 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -153.0 153.67 33.4 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.372 0.606 . . . . 0.0 109.974 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 48.9 t -132.94 129.25 38.04 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.56 -0.713 . . . . 0.0 109.376 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -138.17 178.62 6.99 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.442 -0.786 . . . . 0.0 111.082 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 20.0 mmt180 54.16 61.87 2.85 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.378 0.609 . . . . 0.0 110.16 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.1 m . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.501 -179.705 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 121.328 0.585 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.65 -39.24 67.3 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.319 -0.863 . . . . 0.0 110.481 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.11 -41.97 93.73 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.56 -0.712 . . . . 0.0 110.957 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.4 p -68.62 -36.09 78.18 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.23 -0.918 . . . . 0.0 110.24 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -66.91 -42.55 85.25 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.372 -0.83 . . . . 0.0 109.269 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.9 m -68.88 -31.46 70.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.767 -0.583 . . . . 0.0 109.949 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 10.5 tttt -63.65 -44.15 94.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.495 -0.753 . . . . 0.0 109.153 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.67 -37.82 93.93 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.79 -41.33 97.6 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.535 -0.979 . . . . 0.0 110.222 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -68.48 -39.4 81.36 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.392 -0.818 . . . . 0.0 109.307 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -41.04 97.16 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.505 -0.747 . . . . 0.0 109.021 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.57 -29.63 70.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.677 -0.64 . . . . 0.0 109.806 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.96 8.84 18.89 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.563 -0.71 . . . . 0.0 110.468 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 3.2 ttm180 65.48 54.01 1.19 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.604 -0.685 . . . . 0.0 110.086 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.487 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 86.1 m -124.6 143.71 50.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.512 -0.743 . . . . 0.0 110.405 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.59 3.23 53.42 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -142.81 142.94 31.96 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.944 -1.327 . . . . 0.0 110.461 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.466 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 3.0 p90 -155.88 151.99 27.77 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.363 -0.836 . . . . 0.0 110.327 179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.518 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 33.1 t -120.38 148.46 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.59 -0.694 . . . . 0.0 109.595 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.1 p -152.82 132.55 13.15 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.363 -0.835 . . . . 0.0 110.558 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 t -150.55 132.32 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.655 -0.653 . . . . 0.0 109.932 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.34 127.52 53.95 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.061 -1.024 . . . . 0.0 109.737 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -142.06 130.3 22.23 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.36 -0.838 . . . . 0.0 111.474 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.78 29.84 6.28 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.938 -0.476 . . . . 0.0 111.694 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.24 18.1 63.34 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -116.62 144.15 44.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.272 -1.134 . . . . 0.0 109.375 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -107.69 123.48 48.58 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.292 -0.88 . . . . 0.0 111.102 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -107.78 100.16 9.56 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.4 m -114.49 153.63 29.65 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.294 -0.879 . . . . 0.0 111.719 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -147.02 158.12 43.83 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.356 0.598 . . . . 0.0 109.991 179.84 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.486 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 16.2 t -139.88 126.17 20.07 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.3 mt -138.54 -178.93 5.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.451 -0.78 . . . . 0.0 111.1 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 54.16 57.46 5.89 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 121.353 0.597 . . . . 0.0 109.942 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 14' ' ' ARG . 57.1 m . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.695 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.498 1.943 0 CA-C-O 120.894 0.378 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.36 76.19 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.705 -0.622 . . . . 0.0 110.752 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.6 m -63.54 -40.75 97.81 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.436 -0.79 . . . . 0.0 109.995 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 ttp-105 -67.73 -40.49 84.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.418 -0.801 . . . . 0.0 109.142 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.7 m -67.08 -36.21 81.49 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.736 -0.602 . . . . 0.0 109.934 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.529 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 2.4 ttmt -62.36 -41.2 98.42 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.597 -0.689 . . . . 0.0 109.774 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.08 -37.34 87.19 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -61.99 -41.21 97.79 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.506 -0.997 . . . . 0.0 110.248 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.485 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -67.52 -42.53 82.63 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.463 -0.773 . . . . 0.0 109.586 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -40.0 94.58 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.469 -0.769 . . . . 0.0 109.247 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.67 70.84 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.748 -0.595 . . . . 0.0 109.721 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -88.0 9.84 21.02 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.578 -0.701 . . . . 0.0 110.607 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 7.2 ttp180 65.45 53.96 1.2 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.547 -0.721 . . . . 0.0 110.182 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 85.7 m -122.68 145.35 48.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.322 -0.861 . . . . 0.0 110.225 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.67 -6.72 49.51 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 120.405 -0.902 . . . . 0.0 110.868 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.457 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 0.8 OUTLIER -133.46 141.58 47.88 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.931 -1.334 . . . . 0.0 110.701 -179.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.529 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 2.0 p90 -154.4 148.84 26.18 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.455 -0.778 . . . . 0.0 110.201 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.576 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 22.5 t -119.22 147.2 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.579 -0.701 . . . . 0.0 109.544 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -152.24 128.6 10.6 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.44 -0.787 . . . . 0.0 110.509 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 t -148.51 130.44 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.607 -0.683 . . . . 0.0 110.104 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tt -108.42 124.44 50.4 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.155 -0.966 . . . . 0.0 109.499 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -145.05 136.51 25.22 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.473 -0.767 . . . . 0.0 111.208 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 53.49 29.78 9.53 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.742 -0.599 . . . . 0.0 111.406 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.06 19.3 75.17 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.83 144.79 45.06 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.354 -1.086 . . . . 0.0 109.325 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -107.21 124.96 50.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.309 -0.87 . . . . 0.0 111.0 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -109.26 96.3 6.2 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.2 m -111.73 153.85 25.88 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.335 -0.853 . . . . 0.0 111.487 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.576 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -152.08 152.85 32.89 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.253 0.549 . . . . 0.0 110.129 179.691 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 32.3 t -135.08 129.84 34.63 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.5 mt -141.05 -176.71 4.79 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.51 -0.744 . . . . 0.0 110.757 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.457 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER 54.17 53.99 10.23 Favored 'General case' 0 N--CA 1.5 2.075 0 CA-C-O 121.317 0.579 . . . . 0.0 110.109 -179.613 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 14' ' ' ARG . 58.2 m . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 117.837 -1.077 . . . . 0.0 110.762 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.499 1.993 0 CA-C-O 121.038 0.447 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.86 -35.69 81.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.363 -0.836 . . . . 0.0 110.53 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.1 m -70.72 -38.38 73.6 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.355 -0.84 . . . . 0.0 110.253 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -69.26 -38.97 78.7 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.536 -0.727 . . . . 0.0 109.746 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.1 m -68.84 -34.69 75.9 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.665 -0.647 . . . . 0.0 110.204 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -64.85 -40.61 95.43 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.437 -0.79 . . . . 0.0 109.075 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.59 -41.28 99.55 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -61.41 -46.82 88.55 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.651 -0.911 . . . . 0.0 109.562 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -65.07 -37.93 89.13 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.662 -0.649 . . . . 0.0 109.371 178.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -41.14 97.14 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.621 -0.674 . . . . 0.0 109.587 178.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.86 86.29 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.863 -0.523 . . . . 0.0 110.193 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 8.9 ttt180 -80.69 4.88 17.3 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.415 -0.803 . . . . 0.0 110.786 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 66.44 49.12 1.43 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.454 -0.779 . . . . 0.0 110.507 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.581 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 78.4 m -106.7 146.32 30.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.445 -0.784 . . . . 0.0 110.246 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.19 -0.71 54.34 Favored Glycine 0 N--CA 1.49 2.293 0 C-N-CA 120.481 -0.866 . . . . 0.0 110.943 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.589 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 10.9 t80 -138.71 147.86 43.24 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.834 -1.392 . . . . 0.0 110.827 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -154.45 146.77 23.88 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.577 -0.702 . . . . 0.0 109.929 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 60.9 t -123.73 110.18 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.389 -0.819 . . . . 0.0 109.737 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 82.7 p -118.49 136.24 53.92 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.238 -0.914 . . . . 0.0 110.656 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.62 128.4 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.692 -0.63 . . . . 0.0 110.027 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.64 110.1 21.05 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.265 -0.897 . . . . 0.0 109.458 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -149.34 158.15 43.93 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.547 -0.721 . . . . 0.0 110.486 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 52.88 30.18 8.81 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.735 -0.603 . . . . 0.0 110.969 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.66 30.68 78.36 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HD2' ' CZ ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -138.46 149.06 45.07 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.566 -0.961 . . . . 0.0 109.692 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.1 t -105.64 122.53 46.24 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.388 -0.82 . . . . 0.0 110.761 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.466 ' CZ ' ' HD2' ' A' ' 26' ' ' ARG . 76.0 m-85 -106.32 98.4 8.09 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.1 m -109.76 152.57 25.5 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.505 -0.747 . . . . 0.0 111.581 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -149.57 152.3 35.28 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.232 0.539 . . . . 0.0 110.028 179.803 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.563 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 48.6 t -132.9 127.58 34.69 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.562 -0.711 . . . . 0.0 109.252 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.7 mt -138.0 -176.57 4.48 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.454 -0.779 . . . . 0.0 110.898 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.589 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 0.5 OUTLIER 55.17 47.55 21.5 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.723 -0.61 . . . . 0.0 110.29 -179.76 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 60.1 m . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.824 -1.084 . . . . 0.0 110.746 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.499 2.018 0 CA-C-O 120.929 0.395 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.58 93.87 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.392 -0.817 . . . . 0.0 110.505 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 t -66.21 -39.3 89.54 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.361 -0.837 . . . . 0.0 109.77 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.7 mtt-85 -63.07 -40.74 98.58 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.61 -0.681 . . . . 0.0 109.962 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.7 m -66.77 -35.94 81.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.49 -0.756 . . . . 0.0 110.283 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -61.9 -41.89 98.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.533 -0.73 . . . . 0.0 109.329 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.36 -39.78 96.06 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -63.18 -42.12 99.31 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.505 -0.997 . . . . 0.0 109.85 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -68.16 -41.89 80.88 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.537 -0.727 . . . . 0.0 109.336 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -39.4 93.64 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.341 -0.85 . . . . 0.0 109.233 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.73 -29.99 71.15 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.657 -0.652 . . . . 0.0 109.697 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.2 mtt-85 -87.99 10.05 20.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.648 -0.657 . . . . 0.0 110.281 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.35 55.82 1.37 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.641 -0.662 . . . . 0.0 110.434 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 79.4 m -123.24 146.21 48.02 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.384 -0.822 . . . . 0.0 110.352 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.11 -2.28 51.55 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.4 t80 -138.01 143.17 40.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.94 -1.33 . . . . 0.0 110.464 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -156.74 146.14 20.53 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.342 -0.848 . . . . 0.0 110.128 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.488 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 25.1 t -115.95 150.75 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.67 -0.644 . . . . 0.0 109.54 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.4 p -155.32 135.09 12.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.355 -0.841 . . . . 0.0 110.774 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -151.85 130.54 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.783 -0.573 . . . . 0.0 109.712 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -107.87 115.91 30.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.065 -1.022 . . . . 0.0 109.893 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -137.15 137.92 39.71 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.561 -0.712 . . . . 0.0 111.053 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 52.78 32.24 11.88 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.805 -0.559 . . . . 0.0 111.307 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.14 17.75 80.19 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.74 146.56 44.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.309 -1.112 . . . . 0.0 109.449 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -106.81 124.81 50.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.401 -0.812 . . . . 0.0 111.218 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -108.51 96.16 6.15 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 16.4 m -115.17 157.07 24.15 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.263 -0.898 . . . . 0.0 111.794 -178.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -149.31 153.61 37.75 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.335 0.588 . . . . 0.0 109.897 179.782 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 21.6 t -131.02 128.08 39.62 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.529 -0.732 . . . . 0.0 109.424 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mt -138.72 -177.35 4.83 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.475 -0.766 . . . . 0.0 110.987 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.569 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 9.5 mmt180 54.34 52.62 12.18 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.293 0.568 . . . . 0.0 110.239 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 56.9 m . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.656 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 N--CA 1.498 1.946 0 CA-C-O 120.933 0.397 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.63 -38.37 87.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.61 -0.681 . . . . 0.0 110.267 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.0 m -63.97 -41.07 97.66 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.503 -0.748 . . . . 0.0 110.113 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -65.73 -41.79 91.78 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.506 -0.746 . . . . 0.0 109.328 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.5 m -64.37 -35.56 81.29 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.79 -0.569 . . . . 0.0 110.142 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.497 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 9.6 ttmm -62.14 -43.79 98.05 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.618 -0.676 . . . . 0.0 109.379 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.31 -37.68 94.2 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -61.09 -40.91 95.48 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.561 -0.964 . . . . 0.0 110.146 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -69.5 -40.32 77.08 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.424 -0.797 . . . . 0.0 109.465 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -38.91 92.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.503 -0.748 . . . . 0.0 109.061 178.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.04 -27.98 67.84 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.825 -0.547 . . . . 0.0 109.673 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 1.9 mmm180 -88.34 9.25 23.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.436 -0.79 . . . . 0.0 110.363 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 13' ' ' ARG . 26.6 ttp-105 63.54 58.13 1.37 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.636 -0.665 . . . . 0.0 109.945 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.548 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 79.9 m -128.95 146.02 51.07 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.537 -0.727 . . . . 0.0 110.295 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.82 8.35 46.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.527 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 2.4 t80 -145.64 144.11 30.24 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.934 -1.333 . . . . 0.0 110.425 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.497 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 2.6 p90 -160.08 149.0 17.35 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.423 -0.798 . . . . 0.0 110.25 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.497 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 25.5 t -116.62 147.24 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.543 -0.723 . . . . 0.0 109.508 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -151.49 131.56 13.47 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.311 -0.868 . . . . 0.0 110.553 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -148.61 126.45 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.578 -0.701 . . . . 0.0 109.988 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -108.69 116.81 32.68 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.286 -0.884 . . . . 0.0 109.487 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -148.33 147.26 29.09 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.471 -0.768 . . . . 0.0 111.124 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 51.06 33.04 8.43 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.897 -0.502 . . . . 0.0 111.315 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.64 28.17 73.33 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.433 ' HG2' ' CZ ' ' A' ' 28' ' ' TYR . 2.7 tpt180 -129.25 142.17 50.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.587 -0.949 . . . . 0.0 109.449 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.0 t -107.54 122.73 47.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.387 -0.821 . . . . 0.0 110.821 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.433 ' CZ ' ' HG2' ' A' ' 26' ' ' ARG . 97.5 m-85 -108.39 95.86 5.96 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.5 m -109.75 159.13 17.43 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.493 -0.755 . . . . 0.0 111.514 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.497 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.7 OUTLIER -156.65 150.46 24.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.317 0.58 . . . . 0.0 110.158 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 49.5 t -131.32 126.39 35.18 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.567 -0.708 . . . . 0.0 109.093 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 mp -137.6 -177.99 5.04 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.465 -0.772 . . . . 0.0 111.297 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.527 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 16.6 mmt180 53.63 59.29 4.42 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 121.364 0.602 . . . . 0.0 109.964 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 63.1 m . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.624 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 120.946 0.403 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.7 85.83 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.464 -0.773 . . . . 0.0 110.565 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 p -66.06 -39.26 89.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.35 -0.844 . . . . 0.0 109.916 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -61.63 -42.44 98.9 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.605 -0.684 . . . . 0.0 109.652 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.1 m -65.94 -36.66 83.97 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.412 -0.805 . . . . 0.0 109.972 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -60.69 -42.91 98.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.701 -0.624 . . . . 0.0 109.556 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.1 -38.16 93.73 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -64.06 -40.01 95.32 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.537 -0.978 . . . . 0.0 110.091 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.0 t -71.69 -39.76 70.0 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.522 -0.736 . . . . 0.0 109.454 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -39.29 89.42 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.495 -0.753 . . . . 0.0 109.181 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.24 -29.06 69.23 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.691 -0.63 . . . . 0.0 109.988 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -88.52 11.01 18.33 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.473 -0.767 . . . . 0.0 110.596 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 6.1 tmm_? 65.07 57.18 0.97 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.525 -0.734 . . . . 0.0 110.415 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 81.0 m -128.62 146.77 50.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.371 -0.831 . . . . 0.0 110.185 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.63 -9.85 39.59 Favored Glycine 0 N--CA 1.492 2.39 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.039 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -129.09 142.98 50.72 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.87 -1.37 . . . . 0.0 110.643 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -157.11 145.37 19.44 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.449 -0.782 . . . . 0.0 110.153 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.578 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 27.1 t -115.42 150.74 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.55 -0.719 . . . . 0.0 109.683 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.2 p -153.49 135.67 14.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.39 -0.819 . . . . 0.0 110.606 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.6 t -150.71 130.37 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.693 -0.63 . . . . 0.0 109.877 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -109.03 111.85 23.72 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.137 -0.977 . . . . 0.0 109.63 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -145.79 151.74 38.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.577 -0.702 . . . . 0.0 110.678 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 53.09 28.55 6.98 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.893 -0.505 . . . . 0.0 111.44 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.72 26.37 74.5 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.86 147.7 52.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.496 -1.002 . . . . 0.0 109.585 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 t -105.65 121.34 43.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.384 -0.823 . . . . 0.0 110.671 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -106.25 100.07 9.62 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 17.4 m -117.83 160.65 21.02 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.308 -0.87 . . . . 0.0 111.74 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.578 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 7.2 mttt -151.37 157.22 42.16 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.393 0.616 . . . . 0.0 110.095 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.2 t -135.45 128.79 32.14 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.67 -0.644 . . . . 0.0 109.457 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 mt -140.96 -177.71 5.22 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.458 -0.776 . . . . 0.0 110.943 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.6 mmm-85 55.19 56.36 6.56 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.818 -0.552 . . . . 0.0 110.004 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.2 m . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 117.879 -1.058 . . . . 0.0 110.374 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 121.055 0.455 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.5 97.05 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.587 -0.696 . . . . 0.0 111.105 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.7 p -69.21 -36.64 77.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.224 -0.923 . . . . 0.0 110.434 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -72.47 -39.15 67.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.511 -0.743 . . . . 0.0 109.579 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -68.39 -36.23 78.84 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.638 -0.664 . . . . 0.0 109.79 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 18' ' ' TYR . 6.5 tttp -62.65 -41.64 99.16 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.711 -0.618 . . . . 0.0 109.391 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.68 -39.23 96.54 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.93 -36.44 81.39 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.553 -0.969 . . . . 0.0 110.329 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.7 t -70.9 -40.49 72.14 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.486 -0.759 . . . . 0.0 109.443 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -41.02 98.32 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.48 -0.762 . . . . 0.0 109.28 178.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.54 -29.06 70.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.619 -0.676 . . . . 0.0 109.845 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -87.69 10.47 18.05 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.532 -0.73 . . . . 0.0 110.52 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER 63.71 56.65 1.51 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.525 -0.735 . . . . 0.0 110.224 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 77.4 m -125.88 144.28 50.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.4 -0.813 . . . . 0.0 110.466 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.24 -0.87 50.95 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 27.5 t80 -137.01 149.03 47.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.933 -1.333 . . . . 0.0 110.153 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 7' ' ' LYS . 8.9 p90 -157.31 156.95 33.26 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.468 -0.77 . . . . 0.0 110.372 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 29.8 t -129.05 144.23 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.67 -0.644 . . . . 0.0 109.381 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.5 p -150.84 132.69 15.06 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.336 -0.852 . . . . 0.0 110.42 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.3 t -150.2 130.7 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.565 -0.71 . . . . 0.0 110.043 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.92 115.39 29.98 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.189 -0.944 . . . . 0.0 109.435 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -131.24 129.57 41.77 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.389 -0.819 . . . . 0.0 111.574 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.73 30.81 11.74 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.747 -0.596 . . . . 0.0 111.566 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.08 10.12 81.14 Favored Glycine 0 N--CA 1.495 2.567 0 C-N-CA 120.306 -0.949 . . . . 0.0 110.88 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -110.81 144.27 40.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.199 -1.177 . . . . 0.0 109.356 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.3 t -107.53 122.81 47.4 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.33 -0.856 . . . . 0.0 111.326 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -107.8 98.58 8.15 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.8 m -111.94 153.89 26.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.422 -0.799 . . . . 0.0 111.55 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -150.41 152.81 34.9 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.415 0.626 . . . . 0.0 110.248 179.631 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 20.7 t -130.79 127.45 38.71 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mp -137.59 -177.89 4.99 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.393 -0.817 . . . . 0.0 111.052 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 7.1 mmt-85 54.39 53.22 11.15 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-O 121.325 0.583 . . . . 0.0 110.239 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 56.3 m . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 117.796 -1.097 . . . . 0.0 110.655 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.497 1.904 0 CA-C-O 121.045 0.45 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.55 -35.24 79.85 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.542 -0.723 . . . . 0.0 110.449 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 t -69.12 -37.73 78.5 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.416 -0.802 . . . . 0.0 110.216 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.6 -40.01 80.63 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.338 -0.851 . . . . 0.0 109.711 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.4 m -66.99 -35.62 80.36 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.632 -0.668 . . . . 0.0 109.867 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -61.77 -42.84 99.5 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.599 -0.688 . . . . 0.0 109.252 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.66 -39.79 98.35 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -60.08 -46.42 89.62 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.533 -0.981 . . . . 0.0 109.855 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.0 t -66.33 -40.34 89.81 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.712 -0.617 . . . . 0.0 109.586 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.34 -37.76 86.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.391 -0.818 . . . . 0.0 109.436 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.36 72.13 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.556 -0.715 . . . . 0.0 110.057 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.07 10.54 18.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.393 -0.817 . . . . 0.0 110.482 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.59 58.69 1.01 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.599 -0.688 . . . . 0.0 110.555 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.551 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 80.7 m -122.27 143.29 49.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.255 -0.903 . . . . 0.0 109.835 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.69 7.22 57.58 Favored Glycine 0 N--CA 1.492 2.38 0 C-N-CA 120.367 -0.921 . . . . 0.0 110.955 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.517 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 2.1 t80 -148.53 144.36 27.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.897 -1.355 . . . . 0.0 110.437 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -159.8 151.08 19.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.438 -0.789 . . . . 0.0 110.266 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 30.0 t -118.92 147.07 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.608 -0.683 . . . . 0.0 109.634 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.5 p -152.48 132.33 13.28 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.373 -0.829 . . . . 0.0 110.378 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.3 t -150.73 131.23 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.707 -0.621 . . . . 0.0 110.188 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.71 126.57 53.14 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.193 -0.942 . . . . 0.0 109.726 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -142.26 127.1 18.2 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.376 -0.828 . . . . 0.0 111.213 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 53.78 26.52 6.1 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.866 -0.521 . . . . 0.0 111.831 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.39 12.37 65.17 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.57 136.42 50.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.276 -1.132 . . . . 0.0 109.171 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 t -104.99 124.26 49.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.318 -0.864 . . . . 0.0 111.141 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -107.39 97.73 7.45 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.6 m -113.16 150.97 31.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.276 -0.89 . . . . 0.0 111.531 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 6.6 tttt -149.68 154.14 38.1 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.295 0.569 . . . . 0.0 110.093 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 49.6 t -133.34 129.15 37.1 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.525 -0.734 . . . . 0.0 109.547 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp -138.26 -178.84 5.46 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.47 -0.769 . . . . 0.0 111.094 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 11.5 mmt180 53.56 53.63 11.26 Favored 'General case' 0 N--CA 1.501 2.096 0 CA-C-O 121.327 0.584 . . . . 0.0 110.412 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 63.7 m . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.457 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 120.875 0.369 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.73 -40.55 92.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.633 -0.667 . . . . 0.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -64.87 -38.51 91.21 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.451 -0.78 . . . . 0.0 110.281 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -40.84 88.56 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.612 -0.68 . . . . 0.0 109.558 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.4 m -64.86 -37.64 88.31 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.673 -0.642 . . . . 0.0 110.309 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -61.85 -42.7 99.36 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.555 -0.716 . . . . 0.0 109.546 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.64 -38.32 95.52 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -63.03 -44.71 95.18 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.463 -1.022 . . . . 0.0 109.969 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.7 t -65.78 -39.41 90.96 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.523 -0.736 . . . . 0.0 109.656 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -39.82 89.38 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.335 -0.853 . . . . 0.0 109.216 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.51 -25.57 65.91 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.752 -0.592 . . . . 0.0 109.766 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 8.7 mmp_? -89.39 8.58 30.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.539 -0.726 . . . . 0.0 110.521 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 7.1 tpm_? 64.18 56.5 1.35 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.545 -0.722 . . . . 0.0 110.086 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.5 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 78.8 m -125.28 145.59 49.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.445 -0.784 . . . . 0.0 110.182 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.04 -0.78 51.56 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.56 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.2 t80 -139.81 142.95 36.64 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.86 -1.376 . . . . 0.0 110.687 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -156.16 148.48 23.52 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.409 -0.807 . . . . 0.0 110.207 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.59 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 34.1 t -119.27 148.19 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.596 -0.69 . . . . 0.0 109.482 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.8 p -151.62 134.94 16.02 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.329 -0.857 . . . . 0.0 110.679 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -151.54 128.76 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.645 -0.659 . . . . 0.0 109.94 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 tt -109.16 110.05 21.18 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -148.38 157.3 43.39 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.501 -0.749 . . . . 0.0 110.703 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 ttt-85 52.13 31.41 8.95 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.832 -0.542 . . . . 0.0 111.022 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.91 32.29 83.68 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -138.99 149.95 45.3 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.542 -0.975 . . . . 0.0 109.974 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -106.89 122.58 46.69 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.575 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -107.6 101.0 10.36 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.6 m -117.44 154.91 30.57 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.385 -0.822 . . . . 0.0 111.431 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.59 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -148.59 151.61 35.35 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.335 0.588 . . . . 0.0 109.931 179.628 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 37.3 t -132.77 127.44 34.63 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.552 -0.717 . . . . 0.0 109.342 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.4 mt -139.66 -174.8 3.99 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.48 -0.762 . . . . 0.0 110.794 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 16.3 mmt85 55.83 49.16 16.64 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-O 121.37 0.605 . . . . 0.0 109.994 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 14' ' ' ARG . 46.3 m . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.643 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.498 1.941 0 CA-C-O 120.945 0.402 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.91 93.03 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.518 -0.739 . . . . 0.0 110.444 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m -64.61 -39.34 93.54 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.381 -0.824 . . . . 0.0 110.172 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -67.02 -40.65 87.32 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.408 -0.808 . . . . 0.0 109.556 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.9 m -65.18 -37.47 87.45 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.733 -0.605 . . . . 0.0 110.1 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -61.16 -42.51 98.69 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.595 -0.691 . . . . 0.0 109.4 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.26 -38.59 95.29 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.206 -1.558 . . . . 0.0 109.206 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.19 -41.64 98.54 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.506 -0.997 . . . . 0.0 110.239 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -70.43 -40.11 73.98 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.525 -0.734 . . . . 0.0 109.121 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -64.38 -39.82 94.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.567 -0.708 . . . . 0.0 109.181 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.89 73.21 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.663 -0.648 . . . . 0.0 110.108 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.12 10.19 17.5 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.394 -0.816 . . . . 0.0 110.682 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 64.64 55.43 1.29 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.62 -0.675 . . . . 0.0 110.328 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.504 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 82.5 m -121.01 143.83 48.84 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.302 -0.874 . . . . 0.0 110.277 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.68 5.11 54.02 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.435 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 2.3 t80 -144.13 142.71 30.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.977 -1.308 . . . . 0.0 110.5 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -158.53 148.63 19.78 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.34 -0.85 . . . . 0.0 110.32 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 22.8 t -117.08 149.32 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.621 -0.674 . . . . 0.0 109.553 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.4 p -153.02 133.56 13.72 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.396 -0.815 . . . . 0.0 110.629 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -151.37 128.91 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.626 -0.671 . . . . 0.0 109.896 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.06 109.82 20.93 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.228 -0.92 . . . . 0.0 109.331 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -146.52 154.56 41.69 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.478 -0.764 . . . . 0.0 110.952 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 52.72 29.87 8.05 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.914 -0.491 . . . . 0.0 111.361 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.58 30.51 74.95 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.404 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 2.3 tpt180 -137.18 149.38 47.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.513 -0.993 . . . . 0.0 109.929 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.6 t -107.33 121.41 44.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.429 -0.794 . . . . 0.0 110.616 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 26' ' ' ARG . 83.4 m-85 -106.77 99.72 9.27 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.5 m -114.42 156.97 23.52 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.351 -0.843 . . . . 0.0 111.445 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -149.8 154.36 38.3 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.287 0.565 . . . . 0.0 110.164 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.458 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 27.9 t -135.07 128.88 33.08 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.668 -0.645 . . . . 0.0 109.293 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.6 mt -141.65 -179.12 5.98 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.315 -0.866 . . . . 0.0 111.089 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.435 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 4.6 mmp_? 54.53 56.2 7.1 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.435 0.636 . . . . 0.0 110.177 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 59.6 m . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.753 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.496 1.871 0 CA-C-O 121.069 0.461 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.19 86.66 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.556 -0.715 . . . . 0.0 110.211 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 t -65.84 -39.77 91.13 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.333 -0.854 . . . . 0.0 110.122 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -68.34 -40.64 81.49 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.544 -0.722 . . . . 0.0 109.801 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -65.45 -35.8 82.0 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.674 -0.641 . . . . 0.0 110.551 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -63.78 -41.99 97.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.325 -0.859 . . . . 0.0 109.343 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.33 -39.27 96.84 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -61.42 -47.6 85.05 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.503 -0.998 . . . . 0.0 109.8 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.8 t -63.49 -40.85 98.19 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.606 -0.684 . . . . 0.0 109.661 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -38.35 87.85 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.39 -0.819 . . . . 0.0 109.459 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.14 -34.9 77.26 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.628 -0.67 . . . . 0.0 109.728 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' A' ' 14' ' ' ARG . 5.2 ttt180 -83.14 6.15 20.2 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.559 -0.713 . . . . 0.0 110.406 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 2.9 tpp180 69.15 49.29 0.63 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.607 -0.683 . . . . 0.0 110.408 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.533 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 83.1 m -113.04 148.37 35.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.357 -0.839 . . . . 0.0 110.251 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.04 -7.36 41.2 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.432 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.9 t80 -131.43 142.56 50.04 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.875 -1.368 . . . . 0.0 110.47 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -157.85 147.01 19.61 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.363 -0.835 . . . . 0.0 110.177 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.424 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 43.8 t -118.47 148.9 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.572 -0.705 . . . . 0.0 109.592 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -152.49 132.94 13.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.326 -0.859 . . . . 0.0 110.359 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -151.49 129.85 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.535 -0.728 . . . . 0.0 110.153 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -107.89 109.79 21.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.197 -0.94 . . . . 0.0 109.339 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -138.47 147.72 43.55 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.47 -0.769 . . . . 0.0 110.893 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 53.34 30.44 10.23 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.803 -0.561 . . . . 0.0 111.141 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.09 24.51 75.87 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -126.43 149.23 49.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.505 -0.997 . . . . 0.0 109.454 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -106.59 123.58 48.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.395 -0.816 . . . . 0.0 110.968 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -106.99 96.51 6.48 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.8 m -112.22 151.96 28.97 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.36 -0.838 . . . . 0.0 111.337 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -148.4 154.18 39.57 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.299 0.571 . . . . 0.0 110.197 179.683 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 38.2 t -136.16 131.11 34.25 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.552 -0.717 . . . . 0.0 109.384 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.0 mt -142.49 -178.43 5.76 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.418 -0.801 . . . . 0.0 110.86 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 3.3 mmm180 54.14 53.98 10.26 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 121.245 0.545 . . . . 0.0 110.188 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 62.4 m . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.548 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.5 2.064 0 CA-C-O 120.856 0.36 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.94 96.44 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.571 -0.705 . . . . 0.0 110.366 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 m -64.64 -40.02 94.73 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.548 -0.72 . . . . 0.0 110.347 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -65.69 -40.38 92.24 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.456 -0.778 . . . . 0.0 109.421 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.6 m -72.18 -33.51 67.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.586 -0.696 . . . . 0.0 109.589 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -65.07 -40.56 94.86 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.623 -0.673 . . . . 0.0 109.228 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.5 -40.62 98.96 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.78 -43.89 97.62 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.638 -0.919 . . . . 0.0 109.555 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.586 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 7.9 t -66.19 -41.07 90.74 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.612 -0.68 . . . . 0.0 109.444 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -39.7 94.3 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.651 -0.656 . . . . 0.0 109.322 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.24 -35.27 78.44 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.634 -0.666 . . . . 0.0 109.793 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -80.75 6.49 12.78 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.526 -0.734 . . . . 0.0 110.458 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.77 49.1 0.72 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.721 -0.612 . . . . 0.0 110.433 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.586 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.7 m -115.71 144.92 43.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.357 -0.839 . . . . 0.0 110.301 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.48 -6.97 49.75 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.188 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.522 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.1 t80 -130.06 144.65 51.46 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.921 -1.341 . . . . 0.0 110.604 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -152.23 145.35 24.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.493 -0.755 . . . . 0.0 110.245 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.2 t -121.4 110.39 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.598 -0.689 . . . . 0.0 109.702 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.4 p -119.17 139.25 52.14 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.338 -0.851 . . . . 0.0 110.786 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t -149.57 145.75 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.609 -0.682 . . . . 0.0 110.203 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -124.46 125.18 43.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.276 -0.89 . . . . 0.0 109.568 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -148.09 134.51 19.63 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.401 -0.812 . . . . 0.0 111.021 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 54.48 25.92 6.63 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.959 -0.463 . . . . 0.0 111.594 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.27 15.72 68.52 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -115.7 140.33 49.3 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.197 -1.178 . . . . 0.0 109.433 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -107.54 122.63 47.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.393 -0.817 . . . . 0.0 110.893 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 45.4 m-85 -107.32 103.13 12.41 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.6 m -111.45 152.54 27.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.355 -0.841 . . . . 0.0 111.736 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.4 155.13 38.0 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.392 0.615 . . . . 0.0 110.12 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.563 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 46.2 t -134.93 133.02 39.15 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.623 -0.673 . . . . 0.0 109.674 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.5 mt -141.89 -178.83 5.87 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.493 -0.755 . . . . 0.0 110.743 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 15.8 mmt180 53.89 58.84 4.71 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.403 0.621 . . . . 0.0 109.948 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.4 m . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.498 -179.468 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 121.03 0.443 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.44 -37.05 77.12 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.594 -0.691 . . . . 0.0 110.243 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -63.62 -42.48 98.19 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.579 -0.701 . . . . 0.0 110.072 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -41.11 81.28 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.543 -0.723 . . . . 0.0 109.55 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.3 m -67.41 -33.34 74.98 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.735 -0.603 . . . . 0.0 109.695 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HD3' ' CZ ' ' A' ' 18' ' ' TYR . 1.3 tptt -62.71 -44.29 96.6 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.35 -40.1 98.61 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -61.44 -43.97 97.94 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.543 -0.975 . . . . 0.0 109.946 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 3.3 t -68.89 -40.96 78.91 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.757 -0.589 . . . . 0.0 109.585 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -37.04 82.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.328 -0.857 . . . . 0.0 109.434 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.39 -31.62 72.31 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.518 -0.739 . . . . 0.0 109.616 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.07 8.78 28.06 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.544 -0.723 . . . . 0.0 110.434 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 65.81 55.04 1.0 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.665 -0.647 . . . . 0.0 110.48 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.525 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.8 m -117.96 143.95 45.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.443 -0.786 . . . . 0.0 110.117 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.48 2.55 49.89 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.49 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 3.8 t80 -137.2 142.81 42.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.019 -1.283 . . . . 0.0 110.355 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.403 ' CZ ' ' HD3' ' A' ' 7' ' ' LYS . 4.7 p90 -155.2 140.58 17.72 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.47 -0.769 . . . . 0.0 109.928 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.657 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 51.0 t -117.02 109.66 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.378 -0.826 . . . . 0.0 110.009 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.1 p -117.98 132.52 56.38 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.343 -0.848 . . . . 0.0 110.218 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -145.52 128.5 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.495 -0.753 . . . . 0.0 110.367 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -109.07 108.56 19.3 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.27 -0.894 . . . . 0.0 109.204 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -136.34 143.71 44.26 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.43 -0.794 . . . . 0.0 110.971 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 54.22 30.43 12.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.832 -0.542 . . . . 0.0 111.034 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.45 19.74 79.07 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.518 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -119.86 146.78 45.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.343 -1.092 . . . . 0.0 109.517 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 t -107.92 121.46 44.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.378 -0.826 . . . . 0.0 111.019 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 26' ' ' ARG . 95.0 m-85 -107.57 99.29 8.8 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.7 m -110.15 149.79 29.57 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.439 -0.788 . . . . 0.0 111.431 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.657 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 4.6 mttm -150.42 155.12 38.96 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.29 0.566 . . . . 0.0 109.99 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 37.0 t -133.77 131.65 39.6 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.599 -0.688 . . . . 0.0 109.523 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.1 mt -141.25 178.93 7.07 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.378 -0.826 . . . . 0.0 111.121 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 20.2 mmt180 53.76 60.22 3.8 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.394 0.616 . . . . 0.0 110.215 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.9 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.366 -179.733 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.499 2.01 0 CA-C-O 120.896 0.379 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.18 98.9 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.602 -0.686 . . . . 0.0 110.69 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.2 m -66.32 -38.94 88.87 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.439 -0.788 . . . . 0.0 109.97 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -63.66 -43.79 95.71 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.65 -0.656 . . . . 0.0 109.407 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.0 m -68.72 -33.92 74.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.737 -0.602 . . . . 0.0 109.994 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -39.76 94.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.493 -0.754 . . . . 0.0 109.342 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.0 -40.3 97.04 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -62.0 -46.02 91.07 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.594 -0.945 . . . . 0.0 109.661 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 8.1 t -65.03 -42.34 94.45 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.719 -0.613 . . . . 0.0 109.607 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -40.4 96.34 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.474 -0.767 . . . . 0.0 109.079 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.47 -26.82 67.37 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.708 -0.62 . . . . 0.0 109.609 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.481 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -87.05 11.04 14.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.456 -0.777 . . . . 0.0 110.44 178.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 13' ' ' ARG . 6.7 ttm180 65.98 56.03 0.89 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.693 -0.629 . . . . 0.0 110.291 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.568 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.6 m -130.9 142.71 50.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.549 -0.719 . . . . 0.0 110.036 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.36 9.19 53.33 Favored Glycine 0 N--CA 1.491 2.335 0 C-N-CA 120.412 -0.899 . . . . 0.0 110.888 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.548 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 22.2 t80 -143.79 148.71 35.98 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.011 -1.287 . . . . 0.0 110.667 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -158.59 149.88 20.74 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.543 -0.723 . . . . 0.0 110.389 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.76 112.92 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.631 -0.668 . . . . 0.0 109.629 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -119.87 141.38 49.62 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.29 -0.882 . . . . 0.0 110.714 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -150.48 128.58 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.699 -0.625 . . . . 0.0 109.935 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -109.57 110.46 21.55 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.285 -0.884 . . . . 0.0 109.427 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -149.72 157.58 43.36 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.513 -0.742 . . . . 0.0 110.705 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 52.38 31.1 9.04 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.842 -0.536 . . . . 0.0 111.1 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.17 32.69 85.02 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -141.39 149.48 41.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.508 -0.995 . . . . 0.0 109.917 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.6 t -106.59 123.23 47.8 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.466 -0.771 . . . . 0.0 110.703 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -107.03 101.51 10.93 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.4 m -111.57 151.88 28.21 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.352 -0.843 . . . . 0.0 111.847 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.56 153.47 38.43 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.332 0.587 . . . . 0.0 109.969 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.49 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 48.9 t -130.74 132.26 45.23 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.5 -0.75 . . . . 0.0 109.499 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.3 mt -141.63 -179.55 6.24 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.416 -0.802 . . . . 0.0 111.136 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 53.8 mmt-85 54.33 58.85 4.59 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.441 0.639 . . . . 0.0 110.142 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.5 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.463 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.5 2.065 0 CA-C-O 120.8 0.333 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.08 -41.18 74.73 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.55 -0.719 . . . . 0.0 110.258 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.9 m -65.74 -39.75 91.42 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.515 -0.741 . . . . 0.0 109.913 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -41.01 98.06 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.514 -0.741 . . . . 0.0 109.943 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.4 m -68.27 -34.56 76.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.596 -0.69 . . . . 0.0 110.239 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -63.59 -42.63 98.26 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.571 -0.705 . . . . 0.0 109.521 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.49 -37.53 90.01 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -61.84 -43.38 98.96 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.603 -0.939 . . . . 0.0 110.264 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.6 t -66.01 -38.31 88.12 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.505 -0.747 . . . . 0.0 109.801 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -65.23 -39.72 93.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.466 -0.771 . . . . 0.0 109.293 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.73 72.99 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.619 -0.675 . . . . 0.0 110.005 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -86.74 9.25 19.48 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.516 -0.74 . . . . 0.0 110.559 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 64.23 55.19 1.49 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.542 -0.724 . . . . 0.0 110.296 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.554 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 82.3 m -124.11 143.5 50.43 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.419 -0.8 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.68 9.33 55.42 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.591 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.6 t80 -146.52 142.65 28.26 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.982 -1.305 . . . . 0.0 110.4 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -157.57 154.77 29.06 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.336 -0.853 . . . . 0.0 110.372 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.491 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 38.7 t -125.33 147.97 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.671 -0.643 . . . . 0.0 109.553 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.3 p -152.85 136.7 16.22 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.328 -0.858 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -151.01 130.6 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.816 -0.552 . . . . 0.0 109.869 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 1.5 tt -107.78 114.53 28.55 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.227 -0.921 . . . . 0.0 109.651 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -128.16 128.14 44.25 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.432 -0.793 . . . . 0.0 111.149 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 55.95 27.36 11.04 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.753 -0.592 . . . . 0.0 111.516 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.27 6.33 78.4 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' A' ' 22' ' ' LEU . 6.8 ttt180 -102.88 156.31 17.74 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.164 -1.198 . . . . 0.0 109.22 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.8 t -117.97 121.61 41.1 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.314 -0.866 . . . . 0.0 111.05 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -108.76 98.84 8.27 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 28.8 m -117.86 157.58 26.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.275 -0.891 . . . . 0.0 111.871 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.491 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -151.27 151.2 31.49 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.306 0.575 . . . . 0.0 109.977 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.511 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 36.6 t -128.85 126.25 39.41 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' HG ' ' C ' ' A' ' 31' ' ' CYS . 26.1 mt -136.69 -180.0 6.03 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.409 -0.807 . . . . 0.0 111.162 -178.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.591 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 87.1 mmt-85 56.12 57.22 5.2 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 121.441 0.639 . . . . 0.0 109.972 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.8 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 117.823 -1.084 . . . . 0.0 110.61 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.499 2.004 0 CA-C-O 120.846 0.355 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.4 77.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.581 -0.699 . . . . 0.0 110.541 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.6 t -64.51 -39.79 94.44 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.457 -0.777 . . . . 0.0 110.187 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -67.97 -40.84 83.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.45 -0.781 . . . . 0.0 109.375 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.3 m -64.59 -37.1 86.39 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.801 -0.562 . . . . 0.0 110.227 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 1.2 ttmt -62.35 -42.09 99.11 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.563 -0.711 . . . . 0.0 109.668 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.61 -38.08 94.26 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -60.7 -47.16 87.52 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.659 -0.906 . . . . 0.0 109.946 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.597 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 3.9 t -63.8 -41.09 97.97 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.51 -0.744 . . . . 0.0 109.47 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 ttp85 -62.8 -42.24 99.62 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.592 -0.693 . . . . 0.0 109.222 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.03 -31.86 71.49 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.753 -0.592 . . . . 0.0 110.077 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -87.65 11.8 14.23 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.449 -0.782 . . . . 0.0 110.573 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 64.7 56.08 1.2 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.609 -0.682 . . . . 0.0 110.428 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.597 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 77.5 m -125.29 142.91 51.22 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.275 -0.891 . . . . 0.0 110.172 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.81 7.66 49.62 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 2.9 t80 -142.31 144.63 33.32 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.049 -1.265 . . . . 0.0 110.191 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 3.1 p90 -162.97 152.0 14.85 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.25 -0.906 . . . . 0.0 110.484 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.411 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 30.8 t -118.61 147.88 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.65 -0.656 . . . . 0.0 109.469 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -151.76 132.32 13.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.316 -0.865 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -150.04 128.97 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.7 -0.625 . . . . 0.0 110.116 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -109.45 111.23 22.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.277 -0.889 . . . . 0.0 109.362 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -148.68 154.41 39.6 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.394 -0.816 . . . . 0.0 110.948 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.81 33.93 9.36 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 121.199 0.523 . . . . 0.0 111.18 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.63 33.25 86.75 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -137.88 144.65 41.46 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.628 -0.925 . . . . 0.0 109.845 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -106.17 121.25 43.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.483 -0.76 . . . . 0.0 110.424 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -106.53 102.06 11.48 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.1 m -115.6 152.68 32.62 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.412 -0.805 . . . . 0.0 111.354 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.411 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 13.3 tttt -147.52 153.72 39.85 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.255 0.55 . . . . 0.0 110.132 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 49.3 t -133.97 127.66 32.82 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.564 -0.71 . . . . 0.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mp -139.4 179.85 6.3 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.364 -0.835 . . . . 0.0 111.279 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 17.6 mmt85 54.36 61.55 2.97 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-O 121.342 0.591 . . . . 0.0 110.102 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.7 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.583 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 120.96 0.41 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.16 96.96 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.566 -0.709 . . . . 0.0 110.868 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.0 p -66.24 -37.99 86.84 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.381 -0.824 . . . . 0.0 110.371 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -42.19 81.9 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.476 -0.765 . . . . 0.0 109.555 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.4 m -70.81 -32.08 69.03 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.659 -0.651 . . . . 0.0 109.72 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 2.5 ttpt -63.69 -43.54 96.33 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.43 -37.89 93.09 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -59.37 -45.79 90.47 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.589 -0.948 . . . . 0.0 110.117 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.541 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.7 t -62.77 -40.06 96.1 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.503 -0.748 . . . . 0.0 109.633 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -40.93 96.59 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.457 -0.777 . . . . 0.0 109.179 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.83 -28.96 69.37 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.629 -0.669 . . . . 0.0 109.911 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.7 10.39 18.36 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.549 -0.719 . . . . 0.0 110.48 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 63.86 55.32 1.63 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.684 -0.635 . . . . 0.0 110.428 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.541 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 83.2 m -125.66 142.79 51.33 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.329 -0.857 . . . . 0.0 110.344 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.75 8.07 55.98 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.479 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 5.1 t80 -146.61 144.79 29.78 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.93 -1.335 . . . . 0.0 110.354 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.426 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 2.3 p90 -159.63 143.4 14.6 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.324 -0.86 . . . . 0.0 110.087 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 73.2 t -119.97 120.72 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.315 -0.866 . . . . 0.0 109.949 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.8 p -123.45 136.72 54.74 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.218 -0.926 . . . . 0.0 110.467 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 t -149.65 131.54 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.679 -0.638 . . . . 0.0 110.142 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -108.38 117.04 33.12 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.194 -0.941 . . . . 0.0 109.384 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -149.74 155.73 40.65 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.535 -0.728 . . . . 0.0 110.864 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.68 31.38 7.83 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.797 -0.565 . . . . 0.0 110.975 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.32 30.29 77.34 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -135.05 154.57 51.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.542 -0.975 . . . . 0.0 109.692 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.9 t -107.22 124.48 49.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.44 -0.788 . . . . 0.0 110.621 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -107.66 97.53 7.25 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 58.0 m -109.85 145.79 36.18 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.328 -0.857 . . . . 0.0 111.389 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.511 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -143.63 150.04 38.18 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.261 0.553 . . . . 0.0 110.212 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 33.7 t -132.91 126.07 31.29 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mp -135.5 -179.26 5.53 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.395 -0.815 . . . . 0.0 111.117 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.479 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 21.2 mmt180 54.0 57.32 6.08 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.367 0.603 . . . . 0.0 110.155 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 59.8 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.677 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 120.782 0.325 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.66 91.79 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.525 -0.734 . . . . 0.0 110.493 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.8 m -65.32 -39.27 92.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.381 -0.824 . . . . 0.0 110.342 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -41.84 91.05 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.39 -0.819 . . . . 0.0 109.281 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.0 m -66.44 -35.99 81.67 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.702 -0.624 . . . . 0.0 109.756 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -43.98 95.57 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.68 -0.637 . . . . 0.0 109.503 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.42 -37.69 92.93 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.73 -39.95 90.55 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.575 -0.956 . . . . 0.0 110.19 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.5 t -69.71 -40.47 76.27 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.459 -0.775 . . . . 0.0 109.15 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -41.76 98.27 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.575 -0.703 . . . . 0.0 109.227 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.41 -30.79 71.47 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.804 -0.56 . . . . 0.0 109.921 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -87.58 11.47 14.9 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.483 -0.761 . . . . 0.0 110.469 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 64.17 56.81 1.32 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.657 -0.652 . . . . 0.0 110.35 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.531 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 66.6 m -128.57 144.18 51.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.393 -0.817 . . . . 0.0 110.242 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.35 3.11 43.34 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.424 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 4.2 t80 -138.1 143.46 40.43 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.034 -1.274 . . . . 0.0 110.072 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -160.24 149.64 17.61 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.352 -0.842 . . . . 0.0 110.566 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.45 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 37.1 t -115.38 148.03 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.567 -0.708 . . . . 0.0 109.577 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -152.82 133.29 13.72 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.326 -0.859 . . . . 0.0 110.575 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -151.41 132.28 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.743 -0.598 . . . . 0.0 109.987 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -109.75 109.05 19.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.251 -0.906 . . . . 0.0 109.328 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -143.47 152.17 41.2 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.461 -0.774 . . . . 0.0 110.878 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 52.55 31.22 9.61 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.913 -0.492 . . . . 0.0 111.036 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.71 27.12 73.1 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -131.29 147.79 52.62 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.507 -0.996 . . . . 0.0 109.761 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.3 t -105.66 122.76 46.72 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.511 -0.743 . . . . 0.0 110.213 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -106.6 97.58 7.36 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.9 m -112.89 153.77 27.4 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.535 -0.728 . . . . 0.0 111.484 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -150.64 156.19 40.86 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 121.35 0.595 . . . . 0.0 110.129 179.595 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 22.0 t -133.3 129.21 37.27 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.671 -0.643 . . . . 0.0 109.398 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mp -137.56 177.46 7.85 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.281 -0.887 . . . . 0.0 111.2 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.424 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 6.7 mmt85 52.95 64.29 1.92 Allowed 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 121.363 0.601 . . . . 0.0 110.15 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.0 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 117.854 -1.07 . . . . 0.0 110.535 -179.624 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.498 1.973 0 CA-C-O 120.898 0.38 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.01 95.99 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.502 -0.749 . . . . 0.0 110.084 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -68.08 -39.46 82.89 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.307 -0.87 . . . . 0.0 109.742 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -62.0 -41.61 98.25 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.62 -0.675 . . . . 0.0 109.973 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.1 m -69.48 -33.69 73.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.66 -0.65 . . . . 0.0 110.055 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -42.15 96.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.668 -0.645 . . . . 0.0 109.311 178.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.87 -39.15 96.33 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -63.29 -41.82 99.01 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.524 -0.986 . . . . 0.0 109.895 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.9 t -68.75 -42.57 77.35 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -38.33 90.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.756 -0.59 . . . . 0.0 109.413 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.27 72.56 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.693 -0.629 . . . . 0.0 109.733 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -87.76 6.61 34.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.439 -0.788 . . . . 0.0 110.538 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.3 ttm105 68.12 55.08 0.56 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.614 -0.679 . . . . 0.0 110.191 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.522 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.8 m -118.18 144.36 45.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.508 -0.745 . . . . 0.0 110.057 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.25 4.53 51.8 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 120.496 -0.859 . . . . 0.0 110.982 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.572 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 1.3 t80 -141.14 141.48 34.16 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.969 -1.313 . . . . 0.0 110.451 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -154.76 151.43 28.67 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.385 -0.822 . . . . 0.0 110.493 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 23.9 t -124.23 144.5 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -151.43 134.45 15.84 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.287 -0.883 . . . . 0.0 110.671 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.8 t -149.27 131.04 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.799 -0.563 . . . . 0.0 109.92 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.86 111.35 22.71 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.247 -0.908 . . . . 0.0 109.412 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -149.07 155.43 40.72 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.52 -0.738 . . . . 0.0 110.707 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 52.3 30.63 8.23 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.9 -0.5 . . . . 0.0 111.183 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.44 31.34 79.99 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.43 ' HD2' ' HA ' ' A' ' 26' ' ' ARG . 33.4 tpt85 -138.88 147.6 42.6 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.522 -0.987 . . . . 0.0 109.945 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.9 t -105.75 123.58 48.17 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.497 -0.752 . . . . 0.0 110.571 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -106.97 103.18 12.54 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 31.7 m -117.47 157.12 26.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.322 -0.861 . . . . 0.0 111.858 -178.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.512 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 3.7 ttmm -150.33 151.95 33.69 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.31 0.576 . . . . 0.0 110.071 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 43.5 t -132.28 129.55 39.71 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 mt -141.78 -178.61 5.75 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.342 -0.848 . . . . 0.0 111.065 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.572 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 88.2 mmt-85 54.4 54.91 8.74 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 121.36 0.6 . . . . 0.0 110.176 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.2 m . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 118.289 -0.863 . . . . 0.0 110.398 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 120.891 0.377 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.39 -35.25 73.59 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.563 -0.711 . . . . 0.0 110.66 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.98 -41.12 82.83 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.331 -0.855 . . . . 0.0 110.266 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -68.84 -40.48 79.41 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.491 -0.756 . . . . 0.0 109.564 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.1 m -66.88 -34.27 77.42 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.671 -0.643 . . . . 0.0 110.273 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 18' ' ' TYR . 3.8 ttpt -63.68 -42.62 98.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.51 -0.744 . . . . 0.0 109.203 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.9 -38.46 96.13 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.324 -1.511 . . . . 0.0 109.324 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -64.45 -42.22 96.08 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.452 -1.028 . . . . 0.0 109.984 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.597 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 5.2 t -70.78 -41.21 72.0 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.562 -0.711 . . . . 0.0 109.606 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -38.45 88.96 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.4 -0.813 . . . . 0.0 109.389 178.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.47 -28.64 68.74 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.649 -0.657 . . . . 0.0 109.762 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -86.91 9.87 17.98 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.565 -0.709 . . . . 0.0 110.57 179.132 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 13' ' ' ARG . 11.1 ttp180 65.98 54.47 1.01 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.512 -0.742 . . . . 0.0 110.252 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.597 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 74.1 m -124.49 142.26 51.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.239 -0.913 . . . . 0.0 110.189 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.03 8.16 49.35 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.486 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 2.6 t80 -142.02 145.48 34.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.093 -1.239 . . . . 0.0 110.245 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.562 ' CZ ' ' HD3' ' A' ' 7' ' ' LYS . 6.3 p90 -157.94 149.27 21.36 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.377 -0.827 . . . . 0.0 110.503 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.445 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 39.2 t -122.19 110.97 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.315 -0.866 . . . . 0.0 109.9 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.3 p -120.42 130.64 54.43 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.335 -0.853 . . . . 0.0 110.468 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 t -147.49 132.59 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.581 -0.7 . . . . 0.0 110.014 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -108.16 119.34 39.21 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.138 -0.976 . . . . 0.0 109.334 179.394 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -126.81 122.61 35.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.379 -0.826 . . . . 0.0 111.55 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 52.55 30.94 9.17 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.842 -0.536 . . . . 0.0 111.569 178.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.22 6.24 69.13 Favored Glycine 0 N--CA 1.495 2.62 0 C-N-CA 120.3 -0.952 . . . . 0.0 110.762 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -103.71 148.16 26.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.116 -1.226 . . . . 0.0 109.21 179.396 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.8 t -109.71 122.01 46.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.3 -0.875 . . . . 0.0 111.296 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -108.5 94.66 5.18 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.8 m -109.42 151.05 27.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.343 -0.848 . . . . 0.0 111.488 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -153.0 153.67 33.4 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.372 0.606 . . . . 0.0 109.974 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 48.9 t -132.94 129.25 38.04 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.56 -0.713 . . . . 0.0 109.376 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -138.17 178.62 6.99 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.442 -0.786 . . . . 0.0 111.082 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.486 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 20.0 mmt180 54.16 61.87 2.85 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.378 0.609 . . . . 0.0 110.16 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.1 m . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.501 -179.705 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.879 0 CA-C-O 120.964 0.411 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.11 -41.97 93.73 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.56 -0.712 . . . . 0.0 110.957 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.4 p -68.62 -36.09 78.18 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.23 -0.918 . . . . 0.0 110.24 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -66.91 -42.55 85.25 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.372 -0.83 . . . . 0.0 109.269 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.9 m -68.88 -31.46 70.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.767 -0.583 . . . . 0.0 109.949 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.466 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 10.5 tttt -63.65 -44.15 94.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.495 -0.753 . . . . 0.0 109.153 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.67 -37.82 93.93 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.79 -41.33 97.6 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.535 -0.979 . . . . 0.0 110.222 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -68.48 -39.4 81.36 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.392 -0.818 . . . . 0.0 109.307 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -41.04 97.16 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.505 -0.747 . . . . 0.0 109.021 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.57 -29.63 70.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.677 -0.64 . . . . 0.0 109.806 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.96 8.84 18.89 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.563 -0.71 . . . . 0.0 110.468 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 3.2 ttm180 65.48 54.01 1.19 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.604 -0.685 . . . . 0.0 110.086 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.487 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 86.1 m -124.6 143.71 50.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.512 -0.743 . . . . 0.0 110.405 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.59 3.23 53.42 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -142.81 142.94 31.96 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.944 -1.327 . . . . 0.0 110.461 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.466 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 3.0 p90 -155.88 151.99 27.77 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.363 -0.836 . . . . 0.0 110.327 179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.518 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 33.1 t -120.38 148.46 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.59 -0.694 . . . . 0.0 109.595 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.1 p -152.82 132.55 13.15 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.363 -0.835 . . . . 0.0 110.558 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 t -150.55 132.32 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.655 -0.653 . . . . 0.0 109.932 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.34 127.52 53.95 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.061 -1.024 . . . . 0.0 109.737 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -142.06 130.3 22.23 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.36 -0.838 . . . . 0.0 111.474 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.78 29.84 6.28 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.938 -0.476 . . . . 0.0 111.694 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.24 18.1 63.34 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -116.62 144.15 44.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.272 -1.134 . . . . 0.0 109.375 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -107.69 123.48 48.58 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.292 -0.88 . . . . 0.0 111.102 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -107.78 100.16 9.56 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.4 m -114.49 153.63 29.65 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.294 -0.879 . . . . 0.0 111.719 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -147.02 158.12 43.83 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.356 0.598 . . . . 0.0 109.991 179.84 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.486 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 16.2 t -139.88 126.17 20.07 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.3 mt -138.54 -178.93 5.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.451 -0.78 . . . . 0.0 111.1 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 54.16 57.46 5.89 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 121.353 0.597 . . . . 0.0 109.942 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 14' ' ' ARG . 57.1 m . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.695 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.495 1.793 0 CA-C-O 121.257 0.551 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.35 -49.94 71.9 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.441 -0.787 . . . . 0.0 110.478 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.36 76.19 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.705 -0.622 . . . . 0.0 110.752 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.6 m -63.54 -40.75 97.81 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.436 -0.79 . . . . 0.0 109.995 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 ttp-105 -67.73 -40.49 84.2 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.418 -0.801 . . . . 0.0 109.142 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.7 m -67.08 -36.21 81.49 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.736 -0.602 . . . . 0.0 109.934 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.529 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 2.4 ttmt -62.36 -41.2 98.42 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.597 -0.689 . . . . 0.0 109.774 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.08 -37.34 87.19 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -61.99 -41.21 97.79 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.506 -0.997 . . . . 0.0 110.248 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.485 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -67.52 -42.53 82.63 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.463 -0.773 . . . . 0.0 109.586 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -40.0 94.58 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.469 -0.769 . . . . 0.0 109.247 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.67 70.84 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.748 -0.595 . . . . 0.0 109.721 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -88.0 9.84 21.02 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.578 -0.701 . . . . 0.0 110.607 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 7.2 ttp180 65.45 53.96 1.2 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.547 -0.721 . . . . 0.0 110.182 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 85.7 m -122.68 145.35 48.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.322 -0.861 . . . . 0.0 110.225 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.67 -6.72 49.51 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 120.405 -0.902 . . . . 0.0 110.868 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.457 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 0.8 OUTLIER -133.46 141.58 47.88 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.931 -1.334 . . . . 0.0 110.701 -179.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.529 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 2.0 p90 -154.4 148.84 26.18 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.455 -0.778 . . . . 0.0 110.201 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.576 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 22.5 t -119.22 147.2 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.579 -0.701 . . . . 0.0 109.544 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -152.24 128.6 10.6 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.44 -0.787 . . . . 0.0 110.509 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 t -148.51 130.44 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.607 -0.683 . . . . 0.0 110.104 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tt -108.42 124.44 50.4 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.155 -0.966 . . . . 0.0 109.499 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -145.05 136.51 25.22 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.473 -0.767 . . . . 0.0 111.208 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 53.49 29.78 9.53 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.742 -0.599 . . . . 0.0 111.406 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.06 19.3 75.17 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.83 144.79 45.06 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.354 -1.086 . . . . 0.0 109.325 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -107.21 124.96 50.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.309 -0.87 . . . . 0.0 111.0 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -109.26 96.3 6.2 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.2 m -111.73 153.85 25.88 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.335 -0.853 . . . . 0.0 111.487 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.576 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -152.08 152.85 32.89 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.253 0.549 . . . . 0.0 110.129 179.691 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 32.3 t -135.08 129.84 34.63 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.5 mt -141.05 -176.71 4.79 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.51 -0.744 . . . . 0.0 110.757 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.457 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER 54.17 53.99 10.23 Favored 'General case' 0 N--CA 1.5 2.075 0 CA-C-O 121.317 0.579 . . . . 0.0 110.109 -179.613 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 14' ' ' ARG . 58.2 m . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 117.837 -1.077 . . . . 0.0 110.762 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 120.938 0.399 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.2 t -57.65 -37.99 74.29 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.561 -0.712 . . . . 0.0 110.648 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.86 -35.69 81.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.363 -0.836 . . . . 0.0 110.53 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.1 m -70.72 -38.38 73.6 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.355 -0.84 . . . . 0.0 110.253 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -69.26 -38.97 78.7 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.536 -0.727 . . . . 0.0 109.746 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.1 m -68.84 -34.69 75.9 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.665 -0.647 . . . . 0.0 110.204 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -64.85 -40.61 95.43 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.437 -0.79 . . . . 0.0 109.075 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.59 -41.28 99.55 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -61.41 -46.82 88.55 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.651 -0.911 . . . . 0.0 109.562 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -65.07 -37.93 89.13 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.662 -0.649 . . . . 0.0 109.371 178.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -41.14 97.14 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.621 -0.674 . . . . 0.0 109.587 178.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.86 86.29 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.863 -0.523 . . . . 0.0 110.193 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 8.9 ttt180 -80.69 4.88 17.3 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.415 -0.803 . . . . 0.0 110.786 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 66.44 49.12 1.43 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.454 -0.779 . . . . 0.0 110.507 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.581 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 78.4 m -106.7 146.32 30.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.445 -0.784 . . . . 0.0 110.246 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.19 -0.71 54.34 Favored Glycine 0 N--CA 1.49 2.293 0 C-N-CA 120.481 -0.866 . . . . 0.0 110.943 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.589 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 10.9 t80 -138.71 147.86 43.24 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.834 -1.392 . . . . 0.0 110.827 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -154.45 146.77 23.88 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.577 -0.702 . . . . 0.0 109.929 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 60.9 t -123.73 110.18 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.389 -0.819 . . . . 0.0 109.737 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 82.7 p -118.49 136.24 53.92 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.238 -0.914 . . . . 0.0 110.656 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -148.62 128.4 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.692 -0.63 . . . . 0.0 110.027 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.64 110.1 21.05 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.265 -0.897 . . . . 0.0 109.458 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -149.34 158.15 43.93 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.547 -0.721 . . . . 0.0 110.486 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 52.88 30.18 8.81 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.735 -0.603 . . . . 0.0 110.969 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.66 30.68 78.36 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HD2' ' CZ ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -138.46 149.06 45.07 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.566 -0.961 . . . . 0.0 109.692 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.1 t -105.64 122.53 46.24 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.388 -0.82 . . . . 0.0 110.761 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.466 ' CZ ' ' HD2' ' A' ' 26' ' ' ARG . 76.0 m-85 -106.32 98.4 8.09 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.1 m -109.76 152.57 25.5 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.505 -0.747 . . . . 0.0 111.581 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -149.57 152.3 35.28 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.232 0.539 . . . . 0.0 110.028 179.803 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.563 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 48.6 t -132.9 127.58 34.69 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.562 -0.711 . . . . 0.0 109.252 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.7 mt -138.0 -176.57 4.48 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.454 -0.779 . . . . 0.0 110.898 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.589 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 0.5 OUTLIER 55.17 47.55 21.5 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.723 -0.61 . . . . 0.0 110.29 -179.76 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 60.1 m . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.824 -1.084 . . . . 0.0 110.746 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 120.861 0.363 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.1 t -57.43 -38.99 75.29 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.546 -0.721 . . . . 0.0 110.775 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.58 93.87 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.392 -0.817 . . . . 0.0 110.505 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 t -66.21 -39.3 89.54 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.361 -0.837 . . . . 0.0 109.77 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.7 mtt-85 -63.07 -40.74 98.58 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.61 -0.681 . . . . 0.0 109.962 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.7 m -66.77 -35.94 81.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.49 -0.756 . . . . 0.0 110.283 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -61.9 -41.89 98.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.533 -0.73 . . . . 0.0 109.329 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.36 -39.78 96.06 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -63.18 -42.12 99.31 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.505 -0.997 . . . . 0.0 109.85 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -68.16 -41.89 80.88 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.537 -0.727 . . . . 0.0 109.336 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -39.4 93.64 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.341 -0.85 . . . . 0.0 109.233 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.73 -29.99 71.15 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.657 -0.652 . . . . 0.0 109.697 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.2 mtt-85 -87.99 10.05 20.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.648 -0.657 . . . . 0.0 110.281 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.35 55.82 1.37 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.641 -0.662 . . . . 0.0 110.434 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 79.4 m -123.24 146.21 48.02 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.384 -0.822 . . . . 0.0 110.352 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.11 -2.28 51.55 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.4 t80 -138.01 143.17 40.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.94 -1.33 . . . . 0.0 110.464 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -156.74 146.14 20.53 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.342 -0.848 . . . . 0.0 110.128 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.488 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 25.1 t -115.95 150.75 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.67 -0.644 . . . . 0.0 109.54 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.4 p -155.32 135.09 12.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.355 -0.841 . . . . 0.0 110.774 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -151.85 130.54 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.783 -0.573 . . . . 0.0 109.712 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -107.87 115.91 30.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.065 -1.022 . . . . 0.0 109.893 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -137.15 137.92 39.71 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.561 -0.712 . . . . 0.0 111.053 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 52.78 32.24 11.88 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.805 -0.559 . . . . 0.0 111.307 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.14 17.75 80.19 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.74 146.56 44.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.309 -1.112 . . . . 0.0 109.449 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -106.81 124.81 50.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.401 -0.812 . . . . 0.0 111.218 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -108.51 96.16 6.15 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 16.4 m -115.17 157.07 24.15 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.263 -0.898 . . . . 0.0 111.794 -178.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -149.31 153.61 37.75 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.335 0.588 . . . . 0.0 109.897 179.782 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 21.6 t -131.02 128.08 39.62 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.529 -0.732 . . . . 0.0 109.424 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mt -138.72 -177.35 4.83 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.475 -0.766 . . . . 0.0 110.987 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.569 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 9.5 mmt180 54.34 52.62 12.18 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 121.293 0.568 . . . . 0.0 110.239 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 56.9 m . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.656 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 120.861 0.362 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 t -57.53 -44.33 85.04 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.375 -0.828 . . . . 0.0 110.174 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.63 -38.37 87.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.61 -0.681 . . . . 0.0 110.267 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.0 m -63.97 -41.07 97.66 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.503 -0.748 . . . . 0.0 110.113 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -65.73 -41.79 91.78 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.506 -0.746 . . . . 0.0 109.328 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.5 m -64.37 -35.56 81.29 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.79 -0.569 . . . . 0.0 110.142 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.497 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 9.6 ttmm -62.14 -43.79 98.05 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.618 -0.676 . . . . 0.0 109.379 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.31 -37.68 94.2 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -61.09 -40.91 95.48 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.561 -0.964 . . . . 0.0 110.146 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -69.5 -40.32 77.08 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.424 -0.797 . . . . 0.0 109.465 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -38.91 92.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.503 -0.748 . . . . 0.0 109.061 178.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.04 -27.98 67.84 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.825 -0.547 . . . . 0.0 109.673 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 1.9 mmm180 -88.34 9.25 23.94 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.436 -0.79 . . . . 0.0 110.363 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 13' ' ' ARG . 26.6 ttp-105 63.54 58.13 1.37 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.636 -0.665 . . . . 0.0 109.945 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.548 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 79.9 m -128.95 146.02 51.07 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.537 -0.727 . . . . 0.0 110.295 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.82 8.35 46.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.527 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 2.4 t80 -145.64 144.11 30.24 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.934 -1.333 . . . . 0.0 110.425 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.497 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 2.6 p90 -160.08 149.0 17.35 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.423 -0.798 . . . . 0.0 110.25 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.497 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 25.5 t -116.62 147.24 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.543 -0.723 . . . . 0.0 109.508 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -151.49 131.56 13.47 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.311 -0.868 . . . . 0.0 110.553 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -148.61 126.45 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.578 -0.701 . . . . 0.0 109.988 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -108.69 116.81 32.68 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.286 -0.884 . . . . 0.0 109.487 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -148.33 147.26 29.09 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.471 -0.768 . . . . 0.0 111.124 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 51.06 33.04 8.43 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.897 -0.502 . . . . 0.0 111.315 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.64 28.17 73.33 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.433 ' HG2' ' CZ ' ' A' ' 28' ' ' TYR . 2.7 tpt180 -129.25 142.17 50.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.587 -0.949 . . . . 0.0 109.449 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.0 t -107.54 122.73 47.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.387 -0.821 . . . . 0.0 110.821 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.433 ' CZ ' ' HG2' ' A' ' 26' ' ' ARG . 97.5 m-85 -108.39 95.86 5.96 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.5 m -109.75 159.13 17.43 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.493 -0.755 . . . . 0.0 111.514 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.497 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.7 OUTLIER -156.65 150.46 24.79 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.317 0.58 . . . . 0.0 110.158 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 49.5 t -131.32 126.39 35.18 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.567 -0.708 . . . . 0.0 109.093 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 mp -137.6 -177.99 5.04 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.465 -0.772 . . . . 0.0 111.297 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.527 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 16.6 mmt180 53.63 59.29 4.42 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 121.364 0.602 . . . . 0.0 109.964 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 63.1 m . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.624 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 121.271 0.558 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 t -81.33 -38.23 27.04 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.401 -0.812 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.7 85.83 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.464 -0.773 . . . . 0.0 110.565 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 p -66.06 -39.26 89.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.35 -0.844 . . . . 0.0 109.916 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -61.63 -42.44 98.9 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.605 -0.684 . . . . 0.0 109.652 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.1 m -65.94 -36.66 83.97 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.412 -0.805 . . . . 0.0 109.972 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -60.69 -42.91 98.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.701 -0.624 . . . . 0.0 109.556 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.1 -38.16 93.73 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -64.06 -40.01 95.32 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.537 -0.978 . . . . 0.0 110.091 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.0 t -71.69 -39.76 70.0 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.522 -0.736 . . . . 0.0 109.454 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -39.29 89.42 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.495 -0.753 . . . . 0.0 109.181 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.24 -29.06 69.23 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.691 -0.63 . . . . 0.0 109.988 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -88.52 11.01 18.33 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.473 -0.767 . . . . 0.0 110.596 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 6.1 tmm_? 65.07 57.18 0.97 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.525 -0.734 . . . . 0.0 110.415 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 81.0 m -128.62 146.77 50.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.371 -0.831 . . . . 0.0 110.185 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.63 -9.85 39.59 Favored Glycine 0 N--CA 1.492 2.39 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.039 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -129.09 142.98 50.72 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.87 -1.37 . . . . 0.0 110.643 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -157.11 145.37 19.44 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.449 -0.782 . . . . 0.0 110.153 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.578 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 27.1 t -115.42 150.74 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.55 -0.719 . . . . 0.0 109.683 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.2 p -153.49 135.67 14.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.39 -0.819 . . . . 0.0 110.606 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.6 t -150.71 130.37 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.693 -0.63 . . . . 0.0 109.877 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -109.03 111.85 23.72 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.137 -0.977 . . . . 0.0 109.63 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -145.79 151.74 38.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.577 -0.702 . . . . 0.0 110.678 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 53.09 28.55 6.98 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.893 -0.505 . . . . 0.0 111.44 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.72 26.37 74.5 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.671 -1.372 . . . . 0.0 109.671 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.86 147.7 52.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.496 -1.002 . . . . 0.0 109.585 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 t -105.65 121.34 43.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.384 -0.823 . . . . 0.0 110.671 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -106.25 100.07 9.62 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 17.4 m -117.83 160.65 21.02 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.308 -0.87 . . . . 0.0 111.74 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.578 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 7.2 mttt -151.37 157.22 42.16 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.393 0.616 . . . . 0.0 110.095 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.2 t -135.45 128.79 32.14 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.67 -0.644 . . . . 0.0 109.457 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 mt -140.96 -177.71 5.22 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.458 -0.776 . . . . 0.0 110.943 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.6 mmm-85 55.19 56.36 6.56 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.818 -0.552 . . . . 0.0 110.004 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.2 m . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 117.879 -1.058 . . . . 0.0 110.374 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 121.468 0.651 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.55 -38.29 77.39 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.466 -0.771 . . . . 0.0 110.277 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.5 97.05 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.587 -0.696 . . . . 0.0 111.105 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.7 p -69.21 -36.64 77.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.224 -0.923 . . . . 0.0 110.434 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -72.47 -39.15 67.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.511 -0.743 . . . . 0.0 109.579 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -68.39 -36.23 78.84 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.638 -0.664 . . . . 0.0 109.79 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 18' ' ' TYR . 6.5 tttp -62.65 -41.64 99.16 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.711 -0.618 . . . . 0.0 109.391 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.68 -39.23 96.54 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.93 -36.44 81.39 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.553 -0.969 . . . . 0.0 110.329 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.7 t -70.9 -40.49 72.14 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.486 -0.759 . . . . 0.0 109.443 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -41.02 98.32 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.48 -0.762 . . . . 0.0 109.28 178.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.54 -29.06 70.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.619 -0.676 . . . . 0.0 109.845 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -87.69 10.47 18.05 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.532 -0.73 . . . . 0.0 110.52 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER 63.71 56.65 1.51 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.525 -0.735 . . . . 0.0 110.224 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 77.4 m -125.88 144.28 50.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.4 -0.813 . . . . 0.0 110.466 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.24 -0.87 50.95 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.516 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 27.5 t80 -137.01 149.03 47.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.933 -1.333 . . . . 0.0 110.153 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 7' ' ' LYS . 8.9 p90 -157.31 156.95 33.26 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.468 -0.77 . . . . 0.0 110.372 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 29.8 t -129.05 144.23 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.67 -0.644 . . . . 0.0 109.381 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.5 p -150.84 132.69 15.06 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.336 -0.852 . . . . 0.0 110.42 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.3 t -150.2 130.7 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.565 -0.71 . . . . 0.0 110.043 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.92 115.39 29.98 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.189 -0.944 . . . . 0.0 109.435 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -131.24 129.57 41.77 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.389 -0.819 . . . . 0.0 111.574 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.73 30.81 11.74 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.747 -0.596 . . . . 0.0 111.566 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.08 10.12 81.14 Favored Glycine 0 N--CA 1.495 2.567 0 C-N-CA 120.306 -0.949 . . . . 0.0 110.88 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -110.81 144.27 40.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.199 -1.177 . . . . 0.0 109.356 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.3 t -107.53 122.81 47.4 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.33 -0.856 . . . . 0.0 111.326 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -107.8 98.58 8.15 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.8 m -111.94 153.89 26.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.422 -0.799 . . . . 0.0 111.55 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -150.41 152.81 34.9 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.415 0.626 . . . . 0.0 110.248 179.631 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 20.7 t -130.79 127.45 38.71 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mp -137.59 -177.89 4.99 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.393 -0.817 . . . . 0.0 111.052 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 7.1 mmt-85 54.39 53.22 11.15 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-O 121.325 0.583 . . . . 0.0 110.239 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 56.3 m . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 117.796 -1.097 . . . . 0.0 110.655 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 120.976 0.417 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 t -59.76 -44.58 93.78 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.551 -0.718 . . . . 0.0 110.03 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.55 -35.24 79.85 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.542 -0.723 . . . . 0.0 110.449 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 t -69.12 -37.73 78.5 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.416 -0.802 . . . . 0.0 110.216 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.6 -40.01 80.63 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.338 -0.851 . . . . 0.0 109.711 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.4 m -66.99 -35.62 80.36 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.632 -0.668 . . . . 0.0 109.867 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -61.77 -42.84 99.5 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.599 -0.688 . . . . 0.0 109.252 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.66 -39.79 98.35 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -60.08 -46.42 89.62 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.533 -0.981 . . . . 0.0 109.855 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.0 t -66.33 -40.34 89.81 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.712 -0.617 . . . . 0.0 109.586 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.34 -37.76 86.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.391 -0.818 . . . . 0.0 109.436 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.25 -31.36 72.13 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.556 -0.715 . . . . 0.0 110.057 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.07 10.54 18.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.393 -0.817 . . . . 0.0 110.482 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.59 58.69 1.01 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.599 -0.688 . . . . 0.0 110.555 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.551 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 80.7 m -122.27 143.29 49.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.255 -0.903 . . . . 0.0 109.835 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.69 7.22 57.58 Favored Glycine 0 N--CA 1.492 2.38 0 C-N-CA 120.367 -0.921 . . . . 0.0 110.955 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.517 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 2.1 t80 -148.53 144.36 27.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.897 -1.355 . . . . 0.0 110.437 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -159.8 151.08 19.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.438 -0.789 . . . . 0.0 110.266 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 30.0 t -118.92 147.07 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.608 -0.683 . . . . 0.0 109.634 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.5 p -152.48 132.33 13.28 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.373 -0.829 . . . . 0.0 110.378 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.3 t -150.73 131.23 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.707 -0.621 . . . . 0.0 110.188 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.71 126.57 53.14 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.193 -0.942 . . . . 0.0 109.726 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -142.26 127.1 18.2 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.376 -0.828 . . . . 0.0 111.213 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 53.78 26.52 6.1 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.866 -0.521 . . . . 0.0 111.831 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.39 12.37 65.17 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.57 136.42 50.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.276 -1.132 . . . . 0.0 109.171 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 t -104.99 124.26 49.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.318 -0.864 . . . . 0.0 111.141 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -107.39 97.73 7.45 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 55.6 m -113.16 150.97 31.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.276 -0.89 . . . . 0.0 111.531 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 6.6 tttt -149.68 154.14 38.1 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.295 0.569 . . . . 0.0 110.093 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 49.6 t -133.34 129.15 37.1 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.525 -0.734 . . . . 0.0 109.547 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp -138.26 -178.84 5.46 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.47 -0.769 . . . . 0.0 111.094 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 11.5 mmt180 53.56 53.63 11.26 Favored 'General case' 0 N--CA 1.501 2.096 0 CA-C-O 121.327 0.584 . . . . 0.0 110.412 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 63.7 m . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.457 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 120.898 0.38 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.8 t -59.37 -41.85 90.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.502 -0.749 . . . . 0.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.73 -40.55 92.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.633 -0.667 . . . . 0.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -64.87 -38.51 91.21 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.451 -0.78 . . . . 0.0 110.281 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -40.84 88.56 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.612 -0.68 . . . . 0.0 109.558 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.4 m -64.86 -37.64 88.31 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.673 -0.642 . . . . 0.0 110.309 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -61.85 -42.7 99.36 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.555 -0.716 . . . . 0.0 109.546 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.64 -38.32 95.52 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -63.03 -44.71 95.18 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.463 -1.022 . . . . 0.0 109.969 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.7 t -65.78 -39.41 90.96 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.523 -0.736 . . . . 0.0 109.656 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -39.82 89.38 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.335 -0.853 . . . . 0.0 109.216 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.51 -25.57 65.91 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.752 -0.592 . . . . 0.0 109.766 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 8.7 mmp_? -89.39 8.58 30.01 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.539 -0.726 . . . . 0.0 110.521 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 7.1 tpm_? 64.18 56.5 1.35 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.545 -0.722 . . . . 0.0 110.086 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.5 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 78.8 m -125.28 145.59 49.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.445 -0.784 . . . . 0.0 110.182 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.04 -0.78 51.56 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.56 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.2 t80 -139.81 142.95 36.64 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.86 -1.376 . . . . 0.0 110.687 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -156.16 148.48 23.52 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.409 -0.807 . . . . 0.0 110.207 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.59 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 34.1 t -119.27 148.19 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.596 -0.69 . . . . 0.0 109.482 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.8 p -151.62 134.94 16.02 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.329 -0.857 . . . . 0.0 110.679 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -151.54 128.76 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.645 -0.659 . . . . 0.0 109.94 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 tt -109.16 110.05 21.18 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -148.38 157.3 43.39 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.501 -0.749 . . . . 0.0 110.703 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 ttt-85 52.13 31.41 8.95 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.832 -0.542 . . . . 0.0 111.022 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.91 32.29 83.68 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -138.99 149.95 45.3 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.542 -0.975 . . . . 0.0 109.974 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -106.89 122.58 46.69 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.575 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -107.6 101.0 10.36 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.6 m -117.44 154.91 30.57 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.385 -0.822 . . . . 0.0 111.431 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.59 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -148.59 151.61 35.35 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.335 0.588 . . . . 0.0 109.931 179.628 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 37.3 t -132.77 127.44 34.63 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.552 -0.717 . . . . 0.0 109.342 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.4 mt -139.66 -174.8 3.99 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.48 -0.762 . . . . 0.0 110.794 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.56 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 16.3 mmt85 55.83 49.16 16.64 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-O 121.37 0.605 . . . . 0.0 109.994 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 14' ' ' ARG . 46.3 m . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.643 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 120.867 0.365 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.5 t -59.91 -41.58 92.0 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.426 -0.796 . . . . 0.0 110.614 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.91 93.03 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.518 -0.739 . . . . 0.0 110.444 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.9 m -64.61 -39.34 93.54 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.381 -0.824 . . . . 0.0 110.172 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -67.02 -40.65 87.32 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.408 -0.808 . . . . 0.0 109.556 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.9 m -65.18 -37.47 87.45 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.733 -0.605 . . . . 0.0 110.1 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -61.16 -42.51 98.69 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.595 -0.691 . . . . 0.0 109.4 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.26 -38.59 95.29 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.206 -1.558 . . . . 0.0 109.206 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.19 -41.64 98.54 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.506 -0.997 . . . . 0.0 110.239 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -70.43 -40.11 73.98 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.525 -0.734 . . . . 0.0 109.121 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -64.38 -39.82 94.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.567 -0.708 . . . . 0.0 109.181 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.89 73.21 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.663 -0.648 . . . . 0.0 110.108 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.12 10.19 17.5 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.394 -0.816 . . . . 0.0 110.682 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 64.64 55.43 1.29 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.62 -0.675 . . . . 0.0 110.328 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.504 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 82.5 m -121.01 143.83 48.84 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.302 -0.874 . . . . 0.0 110.277 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.68 5.11 54.02 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.435 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 2.3 t80 -144.13 142.71 30.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.977 -1.308 . . . . 0.0 110.5 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -158.53 148.63 19.78 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.34 -0.85 . . . . 0.0 110.32 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 22.8 t -117.08 149.32 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.621 -0.674 . . . . 0.0 109.553 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.4 p -153.02 133.56 13.72 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.396 -0.815 . . . . 0.0 110.629 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -151.37 128.91 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.626 -0.671 . . . . 0.0 109.896 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.06 109.82 20.93 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.228 -0.92 . . . . 0.0 109.331 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -146.52 154.56 41.69 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.478 -0.764 . . . . 0.0 110.952 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 52.72 29.87 8.05 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.914 -0.491 . . . . 0.0 111.361 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.58 30.51 74.95 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.404 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 2.3 tpt180 -137.18 149.38 47.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.513 -0.993 . . . . 0.0 109.929 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.6 t -107.33 121.41 44.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.429 -0.794 . . . . 0.0 110.616 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 26' ' ' ARG . 83.4 m-85 -106.77 99.72 9.27 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.5 m -114.42 156.97 23.52 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.351 -0.843 . . . . 0.0 111.445 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -149.8 154.36 38.3 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.287 0.565 . . . . 0.0 110.164 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.458 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 27.9 t -135.07 128.88 33.08 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.668 -0.645 . . . . 0.0 109.293 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.6 mt -141.65 -179.12 5.98 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.315 -0.866 . . . . 0.0 111.089 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.435 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 4.6 mmp_? 54.53 56.2 7.1 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.435 0.636 . . . . 0.0 110.177 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 59.6 m . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.753 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 120.979 0.418 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.1 -42.6 99.38 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.588 -0.695 . . . . 0.0 109.778 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.19 86.66 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.556 -0.715 . . . . 0.0 110.211 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 t -65.84 -39.77 91.13 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.333 -0.854 . . . . 0.0 110.122 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -68.34 -40.64 81.49 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.544 -0.722 . . . . 0.0 109.801 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -65.45 -35.8 82.0 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.674 -0.641 . . . . 0.0 110.551 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -63.78 -41.99 97.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.325 -0.859 . . . . 0.0 109.343 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.33 -39.27 96.84 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -61.42 -47.6 85.05 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.503 -0.998 . . . . 0.0 109.8 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.8 t -63.49 -40.85 98.19 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.606 -0.684 . . . . 0.0 109.661 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -38.35 87.85 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.39 -0.819 . . . . 0.0 109.459 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.14 -34.9 77.26 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.628 -0.67 . . . . 0.0 109.728 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' A' ' 14' ' ' ARG . 5.2 ttt180 -83.14 6.15 20.2 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.559 -0.713 . . . . 0.0 110.406 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 2.9 tpp180 69.15 49.29 0.63 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.607 -0.683 . . . . 0.0 110.408 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.533 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 83.1 m -113.04 148.37 35.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.357 -0.839 . . . . 0.0 110.251 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.04 -7.36 41.2 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.432 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.9 t80 -131.43 142.56 50.04 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.875 -1.368 . . . . 0.0 110.47 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -157.85 147.01 19.61 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.363 -0.835 . . . . 0.0 110.177 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.424 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 43.8 t -118.47 148.9 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.572 -0.705 . . . . 0.0 109.592 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -152.49 132.94 13.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.326 -0.859 . . . . 0.0 110.359 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -151.49 129.85 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.535 -0.728 . . . . 0.0 110.153 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -107.89 109.79 21.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.197 -0.94 . . . . 0.0 109.339 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -138.47 147.72 43.55 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.47 -0.769 . . . . 0.0 110.893 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 53.34 30.44 10.23 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.803 -0.561 . . . . 0.0 111.141 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.09 24.51 75.87 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -126.43 149.23 49.41 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.505 -0.997 . . . . 0.0 109.454 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -106.59 123.58 48.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.395 -0.816 . . . . 0.0 110.968 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -106.99 96.51 6.48 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.8 m -112.22 151.96 28.97 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.36 -0.838 . . . . 0.0 111.337 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -148.4 154.18 39.57 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.299 0.571 . . . . 0.0 110.197 179.683 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 38.2 t -136.16 131.11 34.25 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.552 -0.717 . . . . 0.0 109.384 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.0 mt -142.49 -178.43 5.76 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.418 -0.801 . . . . 0.0 110.86 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 3.3 mmm180 54.14 53.98 10.26 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 121.245 0.545 . . . . 0.0 110.188 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 62.4 m . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.548 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 120.811 0.339 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 t -57.29 -38.91 74.69 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.45 -0.781 . . . . 0.0 110.653 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.94 96.44 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.571 -0.705 . . . . 0.0 110.366 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 m -64.64 -40.02 94.73 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.548 -0.72 . . . . 0.0 110.347 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -65.69 -40.38 92.24 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.456 -0.778 . . . . 0.0 109.421 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.6 m -72.18 -33.51 67.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.586 -0.696 . . . . 0.0 109.589 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -65.07 -40.56 94.86 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.623 -0.673 . . . . 0.0 109.228 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.5 -40.62 98.96 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -62.78 -43.89 97.62 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.638 -0.919 . . . . 0.0 109.555 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.586 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 7.9 t -66.19 -41.07 90.74 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.612 -0.68 . . . . 0.0 109.444 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -39.7 94.3 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.651 -0.656 . . . . 0.0 109.322 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.24 -35.27 78.44 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.634 -0.666 . . . . 0.0 109.793 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -80.75 6.49 12.78 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.526 -0.734 . . . . 0.0 110.458 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.77 49.1 0.72 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.721 -0.612 . . . . 0.0 110.433 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.586 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.7 m -115.71 144.92 43.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.357 -0.839 . . . . 0.0 110.301 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.48 -6.97 49.75 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.188 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.522 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.1 t80 -130.06 144.65 51.46 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.921 -1.341 . . . . 0.0 110.604 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -152.23 145.35 24.59 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.493 -0.755 . . . . 0.0 110.245 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.2 t -121.4 110.39 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.598 -0.689 . . . . 0.0 109.702 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.4 p -119.17 139.25 52.14 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.338 -0.851 . . . . 0.0 110.786 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t -149.57 145.75 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.609 -0.682 . . . . 0.0 110.203 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -124.46 125.18 43.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.276 -0.89 . . . . 0.0 109.568 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -148.09 134.51 19.63 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.401 -0.812 . . . . 0.0 111.021 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 54.48 25.92 6.63 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.959 -0.463 . . . . 0.0 111.594 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.27 15.72 68.52 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -115.7 140.33 49.3 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.197 -1.178 . . . . 0.0 109.433 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -107.54 122.63 47.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.393 -0.817 . . . . 0.0 110.893 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 45.4 m-85 -107.32 103.13 12.41 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.6 m -111.45 152.54 27.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.355 -0.841 . . . . 0.0 111.736 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.4 155.13 38.0 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.392 0.615 . . . . 0.0 110.12 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.563 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 46.2 t -134.93 133.02 39.15 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.623 -0.673 . . . . 0.0 109.674 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.5 mt -141.89 -178.83 5.87 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.493 -0.755 . . . . 0.0 110.743 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 15.8 mmt180 53.89 58.84 4.71 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-O 121.403 0.621 . . . . 0.0 109.948 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.4 m . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.498 -179.468 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.496 1.871 0 CA-C-O 120.889 0.376 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.2 t -58.71 -43.65 90.15 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.467 -0.77 . . . . 0.0 109.947 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.44 -37.05 77.12 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.594 -0.691 . . . . 0.0 110.243 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -63.62 -42.48 98.19 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.579 -0.701 . . . . 0.0 110.072 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -41.11 81.28 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.543 -0.723 . . . . 0.0 109.55 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.3 m -67.41 -33.34 74.98 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.735 -0.603 . . . . 0.0 109.695 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HD3' ' CZ ' ' A' ' 18' ' ' TYR . 1.3 tptt -62.71 -44.29 96.6 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.35 -40.1 98.61 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -61.44 -43.97 97.94 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.543 -0.975 . . . . 0.0 109.946 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 3.3 t -68.89 -40.96 78.91 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.757 -0.589 . . . . 0.0 109.585 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -37.04 82.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.328 -0.857 . . . . 0.0 109.434 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.39 -31.62 72.31 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.518 -0.739 . . . . 0.0 109.616 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.07 8.78 28.06 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.544 -0.723 . . . . 0.0 110.434 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 65.81 55.04 1.0 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.665 -0.647 . . . . 0.0 110.48 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.8 m -117.96 143.95 45.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.443 -0.786 . . . . 0.0 110.117 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.48 2.55 49.89 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.49 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 3.8 t80 -137.2 142.81 42.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.019 -1.283 . . . . 0.0 110.355 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.403 ' CZ ' ' HD3' ' A' ' 7' ' ' LYS . 4.7 p90 -155.2 140.58 17.72 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.47 -0.769 . . . . 0.0 109.928 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.657 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 51.0 t -117.02 109.66 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.378 -0.826 . . . . 0.0 110.009 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.1 p -117.98 132.52 56.38 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.343 -0.848 . . . . 0.0 110.218 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -145.52 128.5 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.495 -0.753 . . . . 0.0 110.367 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -109.07 108.56 19.3 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.27 -0.894 . . . . 0.0 109.204 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -136.34 143.71 44.26 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.43 -0.794 . . . . 0.0 110.971 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 54.22 30.43 12.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.832 -0.542 . . . . 0.0 111.034 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.45 19.74 79.07 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.518 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -119.86 146.78 45.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.343 -1.092 . . . . 0.0 109.517 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 t -107.92 121.46 44.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.378 -0.826 . . . . 0.0 111.019 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 26' ' ' ARG . 95.0 m-85 -107.57 99.29 8.8 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.7 m -110.15 149.79 29.57 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.439 -0.788 . . . . 0.0 111.431 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.657 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 4.6 mttm -150.42 155.12 38.96 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.29 0.566 . . . . 0.0 109.99 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 37.0 t -133.77 131.65 39.6 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.599 -0.688 . . . . 0.0 109.523 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.1 mt -141.25 178.93 7.07 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.378 -0.826 . . . . 0.0 111.121 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 20.2 mmt180 53.76 60.22 3.8 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.394 0.616 . . . . 0.0 110.215 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.9 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.366 -179.733 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.497 1.892 0 CA-C-O 120.883 0.373 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.8 t -61.31 -37.33 82.84 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.444 -0.785 . . . . 0.0 110.564 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.18 98.9 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.602 -0.686 . . . . 0.0 110.69 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.2 m -66.32 -38.94 88.87 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.439 -0.788 . . . . 0.0 109.97 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -63.66 -43.79 95.71 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.65 -0.656 . . . . 0.0 109.407 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.0 m -68.72 -33.92 74.75 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.737 -0.602 . . . . 0.0 109.994 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -39.76 94.47 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.493 -0.754 . . . . 0.0 109.342 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.0 -40.3 97.04 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -62.0 -46.02 91.07 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.594 -0.945 . . . . 0.0 109.661 179.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 8.1 t -65.03 -42.34 94.45 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.719 -0.613 . . . . 0.0 109.607 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -40.4 96.34 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.474 -0.767 . . . . 0.0 109.079 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.47 -26.82 67.37 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.708 -0.62 . . . . 0.0 109.609 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -87.05 11.04 14.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.456 -0.777 . . . . 0.0 110.44 178.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 13' ' ' ARG . 6.7 ttm180 65.98 56.03 0.89 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.693 -0.629 . . . . 0.0 110.291 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.568 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.6 m -130.9 142.71 50.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.549 -0.719 . . . . 0.0 110.036 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.36 9.19 53.33 Favored Glycine 0 N--CA 1.491 2.335 0 C-N-CA 120.412 -0.899 . . . . 0.0 110.888 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.548 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 22.2 t80 -143.79 148.71 35.98 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.011 -1.287 . . . . 0.0 110.667 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -158.59 149.88 20.74 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.543 -0.723 . . . . 0.0 110.389 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.76 112.92 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.631 -0.668 . . . . 0.0 109.629 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -119.87 141.38 49.62 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.29 -0.882 . . . . 0.0 110.714 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -150.48 128.58 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.699 -0.625 . . . . 0.0 109.935 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -109.57 110.46 21.55 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.285 -0.884 . . . . 0.0 109.427 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -149.72 157.58 43.36 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.513 -0.742 . . . . 0.0 110.705 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ttm-85 52.38 31.1 9.04 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.842 -0.536 . . . . 0.0 111.1 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.17 32.69 85.02 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -141.39 149.48 41.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.508 -0.995 . . . . 0.0 109.917 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.6 t -106.59 123.23 47.8 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.466 -0.771 . . . . 0.0 110.703 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -107.03 101.51 10.93 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.4 m -111.57 151.88 28.21 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.352 -0.843 . . . . 0.0 111.847 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.56 153.47 38.43 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.332 0.587 . . . . 0.0 109.969 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.49 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 48.9 t -130.74 132.26 45.23 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.5 -0.75 . . . . 0.0 109.499 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.3 mt -141.63 -179.55 6.24 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.416 -0.802 . . . . 0.0 111.136 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.548 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 53.8 mmt-85 54.33 58.85 4.59 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.441 0.639 . . . . 0.0 110.142 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.5 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.463 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 121.137 0.494 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 t -61.43 -45.9 92.38 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.573 -0.704 . . . . 0.0 110.575 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.08 -41.18 74.73 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.55 -0.719 . . . . 0.0 110.258 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.9 m -65.74 -39.75 91.42 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.515 -0.741 . . . . 0.0 109.913 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -41.01 98.06 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.514 -0.741 . . . . 0.0 109.943 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.4 m -68.27 -34.56 76.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.596 -0.69 . . . . 0.0 110.239 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -63.59 -42.63 98.26 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.571 -0.705 . . . . 0.0 109.521 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.49 -37.53 90.01 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -61.84 -43.38 98.96 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.603 -0.939 . . . . 0.0 110.264 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.6 t -66.01 -38.31 88.12 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.505 -0.747 . . . . 0.0 109.801 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -65.23 -39.72 93.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.466 -0.771 . . . . 0.0 109.293 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.73 72.99 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.619 -0.675 . . . . 0.0 110.005 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -86.74 9.25 19.48 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.516 -0.74 . . . . 0.0 110.559 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 64.23 55.19 1.49 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.542 -0.724 . . . . 0.0 110.296 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.554 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 82.3 m -124.11 143.5 50.43 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.419 -0.8 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.68 9.33 55.42 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.591 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 1.6 t80 -146.52 142.65 28.26 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.982 -1.305 . . . . 0.0 110.4 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -157.57 154.77 29.06 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.336 -0.853 . . . . 0.0 110.372 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.491 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 38.7 t -125.33 147.97 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.671 -0.643 . . . . 0.0 109.553 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.3 p -152.85 136.7 16.22 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.328 -0.858 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -151.01 130.6 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.816 -0.552 . . . . 0.0 109.869 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 1.5 tt -107.78 114.53 28.55 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.227 -0.921 . . . . 0.0 109.651 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -128.16 128.14 44.25 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.432 -0.793 . . . . 0.0 111.149 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 55.95 27.36 11.04 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.753 -0.592 . . . . 0.0 111.516 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.27 6.33 78.4 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' A' ' 22' ' ' LEU . 6.8 ttt180 -102.88 156.31 17.74 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.164 -1.198 . . . . 0.0 109.22 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.8 t -117.97 121.61 41.1 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.314 -0.866 . . . . 0.0 111.05 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -108.76 98.84 8.27 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 28.8 m -117.86 157.58 26.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.275 -0.891 . . . . 0.0 111.871 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.491 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -151.27 151.2 31.49 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.306 0.575 . . . . 0.0 109.977 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.511 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 36.6 t -128.85 126.25 39.41 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' HG ' ' C ' ' A' ' 31' ' ' CYS . 26.1 mt -136.69 -180.0 6.03 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.409 -0.807 . . . . 0.0 111.162 -178.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.591 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 87.1 mmt-85 56.12 57.22 5.2 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 121.441 0.639 . . . . 0.0 109.972 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 57.8 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 117.823 -1.084 . . . . 0.0 110.61 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.195 0.522 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.3 t -62.63 -48.88 77.42 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.56 -0.712 . . . . 0.0 110.523 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.4 77.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.581 -0.699 . . . . 0.0 110.541 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.6 t -64.51 -39.79 94.44 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.457 -0.777 . . . . 0.0 110.187 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -67.97 -40.84 83.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.45 -0.781 . . . . 0.0 109.375 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 96.3 m -64.59 -37.1 86.39 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.801 -0.562 . . . . 0.0 110.227 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 1.2 ttmt -62.35 -42.09 99.11 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.563 -0.711 . . . . 0.0 109.668 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.61 -38.08 94.26 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -60.7 -47.16 87.52 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.659 -0.906 . . . . 0.0 109.946 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.597 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 3.9 t -63.8 -41.09 97.97 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.51 -0.744 . . . . 0.0 109.47 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 ttp85 -62.8 -42.24 99.62 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.592 -0.693 . . . . 0.0 109.222 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.03 -31.86 71.49 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.753 -0.592 . . . . 0.0 110.077 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -87.65 11.8 14.23 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.449 -0.782 . . . . 0.0 110.573 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 64.7 56.08 1.2 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.609 -0.682 . . . . 0.0 110.428 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.597 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 77.5 m -125.29 142.91 51.22 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.275 -0.891 . . . . 0.0 110.172 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.81 7.66 49.62 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 2.9 t80 -142.31 144.63 33.32 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.049 -1.265 . . . . 0.0 110.191 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 3.1 p90 -162.97 152.0 14.85 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.25 -0.906 . . . . 0.0 110.484 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.411 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 30.8 t -118.61 147.88 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.65 -0.656 . . . . 0.0 109.469 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -151.76 132.32 13.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.316 -0.865 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t -150.04 128.97 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.7 -0.625 . . . . 0.0 110.116 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tt -109.45 111.23 22.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.277 -0.889 . . . . 0.0 109.362 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -148.68 154.41 39.6 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.394 -0.816 . . . . 0.0 110.948 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.81 33.93 9.36 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 121.199 0.523 . . . . 0.0 111.18 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.63 33.25 86.75 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -137.88 144.65 41.46 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.628 -0.925 . . . . 0.0 109.845 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.8 t -106.17 121.25 43.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.483 -0.76 . . . . 0.0 110.424 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -106.53 102.06 11.48 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.1 m -115.6 152.68 32.62 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.412 -0.805 . . . . 0.0 111.354 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.411 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 13.3 tttt -147.52 153.72 39.85 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.255 0.55 . . . . 0.0 110.132 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 49.3 t -133.97 127.66 32.82 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.564 -0.71 . . . . 0.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mp -139.4 179.85 6.3 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.364 -0.835 . . . . 0.0 111.279 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 17.6 mmt85 54.36 61.55 2.97 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-O 121.342 0.591 . . . . 0.0 110.102 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.7 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.583 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 121.247 0.546 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -85.19 -39.74 17.49 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.518 -0.739 . . . . 0.0 110.437 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.16 96.96 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.566 -0.709 . . . . 0.0 110.868 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.0 p -66.24 -37.99 86.84 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.381 -0.824 . . . . 0.0 110.371 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -42.19 81.9 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.476 -0.765 . . . . 0.0 109.555 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.4 m -70.81 -32.08 69.03 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.659 -0.651 . . . . 0.0 109.72 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 2.5 ttpt -63.69 -43.54 96.33 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.43 -37.89 93.09 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -59.37 -45.79 90.47 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.589 -0.948 . . . . 0.0 110.117 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.541 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.7 t -62.77 -40.06 96.1 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.503 -0.748 . . . . 0.0 109.633 179.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -40.93 96.59 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.457 -0.777 . . . . 0.0 109.179 178.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.83 -28.96 69.37 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.629 -0.669 . . . . 0.0 109.911 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.7 10.39 18.36 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.549 -0.719 . . . . 0.0 110.48 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 63.86 55.32 1.63 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.684 -0.635 . . . . 0.0 110.428 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.541 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 83.2 m -125.66 142.79 51.33 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.329 -0.857 . . . . 0.0 110.344 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.75 8.07 55.98 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.479 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 5.1 t80 -146.61 144.79 29.78 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.93 -1.335 . . . . 0.0 110.354 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.426 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 2.3 p90 -159.63 143.4 14.6 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.324 -0.86 . . . . 0.0 110.087 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 73.2 t -119.97 120.72 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.315 -0.866 . . . . 0.0 109.949 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.8 p -123.45 136.72 54.74 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.218 -0.926 . . . . 0.0 110.467 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 t -149.65 131.54 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.679 -0.638 . . . . 0.0 110.142 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 tt -108.38 117.04 33.12 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.194 -0.941 . . . . 0.0 109.384 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -149.74 155.73 40.65 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.535 -0.728 . . . . 0.0 110.864 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.68 31.38 7.83 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.797 -0.565 . . . . 0.0 110.975 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.32 30.29 77.34 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -135.05 154.57 51.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.542 -0.975 . . . . 0.0 109.692 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.9 t -107.22 124.48 49.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.44 -0.788 . . . . 0.0 110.621 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -107.66 97.53 7.25 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 58.0 m -109.85 145.79 36.18 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.328 -0.857 . . . . 0.0 111.389 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.511 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -143.63 150.04 38.18 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.261 0.553 . . . . 0.0 110.212 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 33.7 t -132.91 126.07 31.29 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mp -135.5 -179.26 5.53 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.395 -0.815 . . . . 0.0 111.117 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.479 ' HG3' ' HB2' ' A' ' 17' ' ' TYR . 21.2 mmt180 54.0 57.32 6.08 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.367 0.603 . . . . 0.0 110.155 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 59.8 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.677 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 120.854 0.359 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 t -58.77 -41.38 86.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.534 -0.729 . . . . 0.0 110.693 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.66 91.79 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.525 -0.734 . . . . 0.0 110.493 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.8 m -65.32 -39.27 92.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.381 -0.824 . . . . 0.0 110.342 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -41.84 91.05 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.39 -0.819 . . . . 0.0 109.281 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.0 m -66.44 -35.99 81.67 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.702 -0.624 . . . . 0.0 109.756 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -43.98 95.57 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.68 -0.637 . . . . 0.0 109.503 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.42 -37.69 92.93 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.73 -39.95 90.55 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.575 -0.956 . . . . 0.0 110.19 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.5 t -69.71 -40.47 76.27 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.459 -0.775 . . . . 0.0 109.15 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -41.76 98.27 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.575 -0.703 . . . . 0.0 109.227 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.41 -30.79 71.47 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.804 -0.56 . . . . 0.0 109.921 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -87.58 11.47 14.9 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.483 -0.761 . . . . 0.0 110.469 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 64.17 56.81 1.32 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.657 -0.652 . . . . 0.0 110.35 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.531 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 66.6 m -128.57 144.18 51.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.393 -0.817 . . . . 0.0 110.242 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.35 3.11 43.34 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.424 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 4.2 t80 -138.1 143.46 40.43 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.034 -1.274 . . . . 0.0 110.072 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -160.24 149.64 17.61 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.352 -0.842 . . . . 0.0 110.566 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.45 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 37.1 t -115.38 148.03 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.567 -0.708 . . . . 0.0 109.577 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -152.82 133.29 13.72 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.326 -0.859 . . . . 0.0 110.575 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 t -151.41 132.28 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.743 -0.598 . . . . 0.0 109.987 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -109.75 109.05 19.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.251 -0.906 . . . . 0.0 109.328 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -143.47 152.17 41.2 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.461 -0.774 . . . . 0.0 110.878 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 52.55 31.22 9.61 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.913 -0.492 . . . . 0.0 111.036 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.71 27.12 73.1 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -131.29 147.79 52.62 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.507 -0.996 . . . . 0.0 109.761 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.3 t -105.66 122.76 46.72 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.511 -0.743 . . . . 0.0 110.213 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -106.6 97.58 7.36 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.9 m -112.89 153.77 27.4 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.535 -0.728 . . . . 0.0 111.484 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -150.64 156.19 40.86 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 121.35 0.595 . . . . 0.0 110.129 179.595 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 22.0 t -133.3 129.21 37.27 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.671 -0.643 . . . . 0.0 109.398 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mp -137.56 177.46 7.85 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.281 -0.887 . . . . 0.0 111.2 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.424 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 6.7 mmt85 52.95 64.29 1.92 Allowed 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 121.363 0.601 . . . . 0.0 110.15 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.0 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 117.854 -1.07 . . . . 0.0 110.535 -179.624 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 4' ' ' SER . 74.8 m . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 120.974 0.416 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.3 t -57.61 -38.77 75.51 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.541 -0.724 . . . . 0.0 110.169 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.01 95.99 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.502 -0.749 . . . . 0.0 110.084 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 1' ' ' SER . 3.3 m -68.08 -39.46 82.89 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.307 -0.87 . . . . 0.0 109.742 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -62.0 -41.61 98.25 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.62 -0.675 . . . . 0.0 109.973 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.1 m -69.48 -33.69 73.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.66 -0.65 . . . . 0.0 110.055 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -42.15 96.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.668 -0.645 . . . . 0.0 109.311 178.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.87 -39.15 96.33 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -63.29 -41.82 99.01 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.524 -0.986 . . . . 0.0 109.895 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 2.9 t -68.75 -42.57 77.35 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -38.33 90.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.756 -0.59 . . . . 0.0 109.413 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.27 72.56 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.693 -0.629 . . . . 0.0 109.733 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -87.76 6.61 34.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.439 -0.788 . . . . 0.0 110.538 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.3 ttm105 68.12 55.08 0.56 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.614 -0.679 . . . . 0.0 110.191 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.522 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 76.8 m -118.18 144.36 45.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.508 -0.745 . . . . 0.0 110.057 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.25 4.53 51.8 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 120.496 -0.859 . . . . 0.0 110.982 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.572 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 1.3 t80 -141.14 141.48 34.16 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.969 -1.313 . . . . 0.0 110.451 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -154.76 151.43 28.67 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.385 -0.822 . . . . 0.0 110.493 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 30' ' ' LYS . 23.9 t -124.23 144.5 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -151.43 134.45 15.84 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.287 -0.883 . . . . 0.0 110.671 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.8 t -149.27 131.04 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.799 -0.563 . . . . 0.0 109.92 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.86 111.35 22.71 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.247 -0.908 . . . . 0.0 109.412 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -149.07 155.43 40.72 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.52 -0.738 . . . . 0.0 110.707 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 52.3 30.63 8.23 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.9 -0.5 . . . . 0.0 111.183 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.44 31.34 79.99 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.43 ' HD2' ' HA ' ' A' ' 26' ' ' ARG . 33.4 tpt85 -138.88 147.6 42.6 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.522 -0.987 . . . . 0.0 109.945 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.9 t -105.75 123.58 48.17 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.497 -0.752 . . . . 0.0 110.571 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -106.97 103.18 12.54 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 31.7 m -117.47 157.12 26.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.322 -0.861 . . . . 0.0 111.858 -178.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.512 ' HB3' ' HB ' ' A' ' 19' ' ' VAL . 3.7 ttmm -150.33 151.95 33.69 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.31 0.576 . . . . 0.0 110.071 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 43.5 t -132.28 129.55 39.71 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 mt -141.78 -178.61 5.75 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.342 -0.848 . . . . 0.0 111.065 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.572 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 88.2 mmt-85 54.4 54.91 8.74 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 121.36 0.6 . . . . 0.0 110.176 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 61.2 m . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 118.289 -0.863 . . . . 0.0 110.398 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 121.174 0.511 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.01 -46.74 86.2 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.49 -0.756 . . . . 0.0 110.519 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.39 -35.25 73.59 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.563 -0.711 . . . . 0.0 110.66 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.98 -41.12 82.83 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.331 -0.855 . . . . 0.0 110.266 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -68.84 -40.48 79.41 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.491 -0.756 . . . . 0.0 109.564 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.1 m -66.88 -34.27 77.42 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.671 -0.643 . . . . 0.0 110.273 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 18' ' ' TYR . 3.8 ttpt -63.68 -42.62 98.0 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.51 -0.744 . . . . 0.0 109.203 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.9 -38.46 96.13 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.324 -1.511 . . . . 0.0 109.324 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -64.45 -42.22 96.08 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.452 -1.028 . . . . 0.0 109.984 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.597 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 5.2 t -70.78 -41.21 72.0 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.562 -0.711 . . . . 0.0 109.606 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -38.45 88.96 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.4 -0.813 . . . . 0.0 109.389 178.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.47 -28.64 68.74 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.649 -0.657 . . . . 0.0 109.762 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -86.91 9.87 17.98 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.565 -0.709 . . . . 0.0 110.57 179.132 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 13' ' ' ARG . 11.1 ttp180 65.98 54.47 1.01 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.512 -0.742 . . . . 0.0 110.252 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.597 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 74.1 m -124.49 142.26 51.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.239 -0.913 . . . . 0.0 110.189 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -104.03 8.16 49.35 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.486 ' HB2' ' CG ' ' A' ' 33' ' ' ARG . 2.6 t80 -142.02 145.48 34.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.093 -1.239 . . . . 0.0 110.245 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.562 ' CZ ' ' HD3' ' A' ' 7' ' ' LYS . 6.3 p90 -157.94 149.27 21.36 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.377 -0.827 . . . . 0.0 110.503 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.445 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 39.2 t -122.19 110.97 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.315 -0.866 . . . . 0.0 109.9 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.3 p -120.42 130.64 54.43 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.335 -0.853 . . . . 0.0 110.468 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 t -147.49 132.59 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.581 -0.7 . . . . 0.0 110.014 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -108.16 119.34 39.21 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.138 -0.976 . . . . 0.0 109.334 179.394 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -126.81 122.61 35.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.379 -0.826 . . . . 0.0 111.55 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 52.55 30.94 9.17 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.842 -0.536 . . . . 0.0 111.569 178.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.22 6.24 69.13 Favored Glycine 0 N--CA 1.495 2.62 0 C-N-CA 120.3 -0.952 . . . . 0.0 110.762 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -103.71 148.16 26.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.116 -1.226 . . . . 0.0 109.21 179.396 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.8 t -109.71 122.01 46.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.3 -0.875 . . . . 0.0 111.296 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -108.5 94.66 5.18 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.8 m -109.42 151.05 27.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.343 -0.848 . . . . 0.0 111.488 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -153.0 153.67 33.4 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.372 0.606 . . . . 0.0 109.974 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 48.9 t -132.94 129.25 38.04 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.56 -0.713 . . . . 0.0 109.376 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -138.17 178.62 6.99 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.442 -0.786 . . . . 0.0 111.082 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' CG ' ' HB2' ' A' ' 17' ' ' TYR . 20.0 mmt180 54.16 61.87 2.85 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.378 0.609 . . . . 0.0 110.16 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.1 m . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.501 -179.705 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 121.328 0.585 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.65 -39.24 67.3 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.319 -0.863 . . . . 0.0 110.481 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.11 -41.97 93.73 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.56 -0.712 . . . . 0.0 110.957 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.4 p -68.62 -36.09 78.18 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.23 -0.918 . . . . 0.0 110.24 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -66.91 -42.55 85.25 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.372 -0.83 . . . . 0.0 109.269 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.9 m -68.88 -31.46 70.42 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.767 -0.583 . . . . 0.0 109.949 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' HG3' ' CE1' ' A' ' 18' ' ' TYR . 10.5 tttt -63.65 -44.15 94.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.495 -0.753 . . . . 0.0 109.153 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.67 -37.82 93.93 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.79 -41.33 97.6 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.535 -0.979 . . . . 0.0 110.222 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 1.8 t -68.48 -39.4 81.36 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.392 -0.818 . . . . 0.0 109.307 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -41.04 97.16 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.505 -0.747 . . . . 0.0 109.021 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.57 -29.63 70.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.677 -0.64 . . . . 0.0 109.806 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.96 8.84 18.89 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.563 -0.71 . . . . 0.0 110.468 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 3.2 ttm180 65.48 54.01 1.19 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.604 -0.685 . . . . 0.0 110.086 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.487 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 86.1 m -124.6 143.71 50.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.512 -0.743 . . . . 0.0 110.405 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.59 3.23 53.42 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -142.81 142.94 31.96 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.944 -1.327 . . . . 0.0 110.461 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.466 ' CE1' ' HG3' ' A' ' 7' ' ' LYS . 3.0 p90 -155.88 151.99 27.77 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.363 -0.836 . . . . 0.0 110.327 179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.518 ' HB ' ' HB2' ' A' ' 30' ' ' LYS . 33.1 t -120.38 148.46 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.59 -0.694 . . . . 0.0 109.595 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.1 p -152.82 132.55 13.15 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.363 -0.835 . . . . 0.0 110.558 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 t -150.55 132.32 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.655 -0.653 . . . . 0.0 109.932 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.34 127.52 53.95 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.061 -1.024 . . . . 0.0 109.737 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -142.06 130.3 22.23 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.36 -0.838 . . . . 0.0 111.474 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.78 29.84 6.28 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.938 -0.476 . . . . 0.0 111.694 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.24 18.1 63.34 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -116.62 144.15 44.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.272 -1.134 . . . . 0.0 109.375 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -107.69 123.48 48.58 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.292 -0.88 . . . . 0.0 111.102 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -107.78 100.16 9.56 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.4 m -114.49 153.63 29.65 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.294 -0.879 . . . . 0.0 111.719 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HB2' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -147.02 158.12 43.83 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.356 0.598 . . . . 0.0 109.991 179.84 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.486 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 16.2 t -139.88 126.17 20.07 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.3 mt -138.54 -178.93 5.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.451 -0.78 . . . . 0.0 111.1 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 54.16 57.46 5.89 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 121.353 0.597 . . . . 0.0 109.942 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 14' ' ' ARG . 57.1 m . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.695 -179.479 . . . . . . . . 1 1 . 1 stop_ save_