data_1cqh_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 1cqh _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 mmm . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.532 0.682 . . . . 3.32 109.623 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.1 t -102.06 145.58 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 107.188 -1.412 . . . . 1.16 107.188 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -129.73 128.07 41.72 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.597 -1.26 . . . . 2.18 107.597 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.412 ' HG2' ' OE1' ' A' ' 6' ' ' GLU . 63.3 tt0 -98.61 123.69 42.94 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.421 -0.955 . . . . 0.4 108.421 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.8 mm -101.37 116.5 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 108.472 -0.936 . . . . 1.04 108.472 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.508 ' CA ' ' OE1' ' A' ' 6' ' ' GLU . 0.6 OUTLIER -97.97 -3.63 37.91 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.993 -1.067 . . . . 2.25 109.216 179.581 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.6 p -152.13 159.45 43.63 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.837 -1.164 . . . . 0.91 110.592 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.36 -32.86 74.72 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.018 -1.104 . . . . 2.18 108.018 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.0 m -56.25 -48.27 76.87 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 118.733 -1.187 . . . . 1.03 108.718 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.32 -28.74 67.43 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.242 -0.911 . . . . 1.02 109.159 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -59.92 -44.54 94.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.082 -1.011 . . . . 0.15 109.028 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -66.59 -41.75 88.0 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 120.041 -0.664 . . . . 2.07 109.232 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.72 -37.61 88.01 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.39 -0.819 . . . . 1.77 109.761 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.62 78.49 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.277 -0.889 . . . . 1.04 109.251 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.2 mt -60.09 -39.36 85.85 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.089 -1.078 . . . . 1.07 108.089 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -69.96 -34.96 74.07 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.507 -0.745 . . . . 1.07 109.905 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.64 -38.03 80.16 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.328 -0.858 . . . . 1.07 110.25 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.99 -31.54 72.69 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.21 -0.931 . . . . 1.03 109.574 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.01 -124.15 19.62 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.798 -1.321 . . . . 0.24 109.798 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -92.0 4.92 51.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.193 -1.181 . . . . 1.07 110.841 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -76.67 149.95 36.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.933 -1.104 . . . . 2.03 110.117 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.83 152.05 28.22 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.077 -1.453 . . . . 1.23 107.077 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.0 t -139.44 118.56 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 107.563 -1.273 . . . . 1.03 107.563 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.43 141.64 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 107.385 -1.339 . . . . 1.03 107.385 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.0 t -125.09 123.94 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.274 -0.892 . . . . 1.01 109.407 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' CG ' ' HG ' ' A' ' 28' ' ' SER . 29.1 t0 -100.18 119.99 39.19 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.511 -0.743 . . . . 1.05 109.856 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -97.61 30.03 3.09 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.071 -1.018 . . . . 0.73 109.768 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.435 ' HG ' ' CG ' ' A' ' 26' ' ' ASP . 70.7 m -63.47 148.06 49.64 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 120.726 -1.234 . . . . 0.84 110.45 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.99 125.7 32.92 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.466 -1.309 . . . . 1.04 107.466 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 31' ' ' TRP . 10.3 t -68.03 -32.03 72.12 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.577 -1.249 . . . . 1.08 108.809 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.451 ' CD1' ' OD2' ' A' ' 60' ' ' ASP . 58.0 p-90 -71.84 -22.58 61.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.452 -0.78 . . . . 0.29 110.712 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.4 t -84.19 117.22 23.36 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.898 -1.149 . . . . 0.26 107.898 -179.761 -166.552 -168.227 -89.283 105.54 2.027 104.346 -120.507 -46.625 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.436 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -62.43 -52.07 51.83 Favored Glycine 0 N--CA 1.489 2.186 0 C-N-CA 120.35 -0.928 . . . . 0.28 111.59 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 35.2 Cg_exo -51.99 -36.25 63.98 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 CA-C-N 118.838 1.319 . . . . 0.5 112.383 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.25 -49.41 13.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.458 -0.776 . . . . 1.04 110.201 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -60.03 -37.5 79.98 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.099 -1.001 . . . . 2.12 108.696 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -25.96 62.55 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.67 -0.643 . . . . 2.66 110.595 -178.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 50.3 mt -84.3 -3.99 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.33 -0.856 . . . . 1.22 109.995 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.54 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -60.25 -30.0 6.53 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 120.317 -1.489 . . . . 1.44 113.362 -178.137 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 38.6 Cg_exo -58.75 -40.0 76.86 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 CA-C-N 121.852 1.697 . . . . 0.31 112.511 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -69.24 -46.14 68.04 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 117.936 -1.506 . . . . 0.45 108.605 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.3 t80 -59.99 -52.04 67.07 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.197 -0.939 . . . . 0.16 109.732 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.1 t60 -68.0 -43.15 79.53 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.191 0.52 . . . . 0.35 110.693 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.459 ' OG ' ' O ' ' A' ' 40' ' ' PRO . 68.7 m -60.66 -39.95 90.27 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.922 -1.111 . . . . 0.77 110.667 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.93 -22.42 64.38 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.155 -0.966 . . . . 1.07 110.84 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.2 m -56.01 -36.28 67.77 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.783 -1.198 . . . . 0.87 108.991 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.607 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 7.3 mp0 -84.64 -18.32 35.8 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.157 -0.965 . . . . 2.16 108.68 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -77.08 -39.9 48.04 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.85 -1.156 . . . . 2.29 108.113 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -120.39 68.03 0.85 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 106.866 -1.531 . . . . 0.95 106.866 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.2 p -63.48 -9.14 11.42 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.496 -0.927 . . . . 0.89 108.496 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -90.49 7.23 39.95 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.44 -0.948 . . . . 1.13 108.44 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 52.1 t -127.41 143.64 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 107.174 -1.417 . . . . 1.06 107.174 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.4 mm -100.04 123.55 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.089 -1.007 . . . . 1.04 109.377 -178.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -103.28 126.62 50.54 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.43 -0.794 . . . . 0.13 109.971 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.426 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 5.7 mp -109.99 143.03 40.56 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 121.113 -0.992 . . . . 1.08 110.054 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -112.04 129.92 56.05 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.055 -1.461 . . . . 1.13 107.055 177.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.0 t -126.63 136.29 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 CA-C-O 121.829 0.823 . . . . 1.03 110.142 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.459 ' CG ' ' H ' ' A' ' 61' ' ' ASP . 56.0 t0 -97.77 119.29 36.1 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 109.003 -0.74 . . . . 1.05 109.003 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.63 -16.57 21.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 120.423 -1.423 . . . . 1.04 108.681 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' OD2' ' CD1' ' A' ' 31' ' ' TRP . 6.8 m-20 -94.36 -40.89 9.71 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.438 -0.789 . . . . 1.08 111.373 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.459 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 72.3 m-20 -97.03 -17.37 20.06 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.686 -1.258 . . . . 1.07 108.894 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -123.46 39.02 4.06 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 107.332 -1.358 . . . . 1.03 107.332 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -60.14 -22.04 62.36 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.719 -0.613 . . . . 1.92 109.534 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.47 -36.04 82.68 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 120.72 -1.237 . . . . 1.05 108.617 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 t -72.01 -45.23 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.076 -1.015 . . . . 1.1 109.256 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.32 75.69 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 121.224 0.535 . . . . 1.03 110.734 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.407 ' O ' ' OE1' ' A' ' 70' ' ' GLU . 80.6 p -60.43 -36.02 77.2 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.187 -0.946 . . . . 0.89 109.505 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.425 ' O ' ' OE1' ' A' ' 70' ' ' GLU . 9.2 tt0 -63.22 -39.19 93.91 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.2 -0.938 . . . . 2.06 109.365 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.17 1.63 49.92 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.401 -0.812 . . . . 1.05 111.333 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER 54.23 50.02 17.36 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.019 -1.051 . . . . 2.02 109.611 -179.683 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.1 t -66.57 132.04 32.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 C-N-CA 117.933 -1.507 . . . . 1.05 108.724 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -102.9 -14.98 16.32 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.757 -0.59 . . . . 2.16 110.028 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.491 ' O ' ' OG1' ' A' ' 76' ' ' THR . . . -161.67 156.04 22.53 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.984 -1.072 . . . . 1.04 110.642 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.4 p -127.9 155.35 77.72 Favored Pre-proline 0 N--CA 1.497 1.91 0 N-CA-C 107.219 -1.4 . . . . 1.04 107.219 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -76.1 141.78 71.51 Favored 'Cis proline' 0 N--CA 1.492 1.423 0 C-N-CA 123.912 -1.287 . . . . 0.19 112.535 -2.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 73' ' ' ALA . 59.7 m -126.58 133.68 51.0 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 108.136 -1.061 . . . . 1.04 108.136 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.431 ' CD1' HD23 ' A' ' 97' ' ' LEU . 93.1 m-85 -110.79 131.23 55.22 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.953 -0.758 . . . . 0.23 108.953 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.414 ' HG2' ' HG3' ' A' ' 88' ' ' GLU . 73.8 mt-30 -121.66 140.35 52.4 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.44 -0.787 . . . . 0.43 109.032 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -107.34 132.33 53.26 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.392 0.615 . . . . 0.17 110.116 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -126.93 150.95 49.09 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 109.178 -0.675 . . . . 0.17 109.178 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -151.48 127.63 10.49 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.136 -1.061 . . . . 2.18 108.136 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 89.9 mttt 57.73 28.03 15.25 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.004 -1.06 . . . . 1.8 108.173 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 76.02 19.17 78.95 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 108.73 -1.748 . . . . 0.23 108.73 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.74 132.95 55.33 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.64 -0.918 . . . . 2.75 110.445 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -79.25 124.62 28.55 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.31 -0.869 . . . . 2.3 108.858 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.4 m -123.9 8.51 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.671 -0.643 . . . . 1.06 111.226 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.82 154.18 12.06 Favored Glycine 0 N--CA 1.501 2.972 0 C-N-CA 118.405 -1.855 . . . . 0.22 112.037 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.414 ' HG3' ' HG2' ' A' ' 78' ' ' GLN . 2.3 tm-20 -163.13 149.53 12.28 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.746 -0.856 . . . . 1.93 109.253 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 9.9 p90 -163.7 159.6 21.7 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.557 -0.714 . . . . 0.16 109.125 177.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.5 p -125.87 160.02 30.99 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 109.058 -0.719 . . . . 0.9 109.058 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 125.36 139.05 5.11 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.476 -1.45 . . . . 0.12 109.476 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.26 64.78 2.1 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.999 -1.294 . . . . 1.04 109.263 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -119.48 95.91 4.99 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 108.239 -1.023 . . . . 1.36 108.239 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.82 -32.63 72.47 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.12 -0.988 . . . . 1.6 111.5 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -63.57 -30.03 71.2 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.993 -1.067 . . . . 1.61 108.996 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -60.77 -35.25 75.94 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.595 0.712 . . . . 2.02 109.687 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' A' ' 77' ' ' PHE . 50.0 mt -59.77 -39.92 86.5 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.944 0.878 . . . . 1.05 108.936 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -61.88 -42.17 98.74 Favored 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 119.101 -1.039 . . . . 2.1 110.242 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.95 -44.81 75.91 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.121 -1.032 . . . . 1.06 111.155 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.7 m -65.17 -39.87 93.5 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.785 -1.197 . . . . 1.04 109.777 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.4 mt -60.94 -49.86 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.922 -1.14 . . . . 1.04 107.922 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -60.09 -35.83 76.06 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 122.015 0.912 . . . . 1.09 108.59 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -67.97 -38.48 82.78 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.717 -0.615 . . . . 2.21 109.609 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.7 mt -101.49 -0.24 35.46 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.009 -1.057 . . . . 1.05 111.291 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.497 1.881 0 O-C-N 120.322 -1.486 . . . . 1.08 109.13 -179.784 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo . . . . . 0 N--CA 1.487 1.134 0 N-CA-C 110.567 -0.59 . . . . 1.75 110.567 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.1 122.02 37.33 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.197 -1.038 . . . . 1.35 108.197 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 46.9 m -107.82 130.01 55.02 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.905 -0.776 . . . . 1.36 108.905 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.81 -30.0 70.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.336 -0.852 . . . . 1.24 109.455 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -60.26 -20.04 57.31 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.45 -0.781 . . . . 1.89 109.352 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 34.0 mm -130.9 140.11 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.383 0 O-C-N 121.902 -0.499 . . . . 1.03 110.17 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' CYS . . . . . . . . . . . . . 14.9 m -97.47 128.84 44.57 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.337 -1.357 . . . . 0.19 107.337 177.369 -46.625 -120.507 -89.283 104.346 2.027 105.54 -168.227 -166.552 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 52.9 m -80.07 141.01 36.24 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.819 -1.176 . . . . 0.93 110.707 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' TRP . . . . . 0.427 ' C ' ' H ' ' B' ' 69' ' ' VAL . 22.0 m95 -76.71 -10.0 59.07 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.935 -1.103 . . . . 0.21 109.062 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -54.64 -11.76 0.63 Allowed 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.276 -0.89 . . . . 0.49 108.841 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.427 ' H ' ' C ' ' B' ' 67' ' ' TRP . 23.1 m -61.23 145.92 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 119.457 -0.897 . . . . 1.66 109.301 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -60.19 -34.5 73.69 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.482 -1.303 . . . . 1.36 107.482 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 117.92 -1.489 . . . . 2.32 110.043 179.113 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 mmm . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.532 0.682 . . . . 2.8799999999999999 109.623 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.468 HG21 ' ND1' ' A' ' 43' ' ' HIS . 93.1 t -102.06 145.58 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 107.188 -1.412 . . . . 0.45000000000000001 107.188 178.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -129.73 128.07 41.72 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.597 -1.26 . . . . 1.6699999999999999 107.597 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.433 ' HG2' ' OE1' ' A' ' 6' ' ' GLU . 63.3 tt0 -98.61 123.69 42.94 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.421 -0.955 . . . . 0.31 108.421 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.8 mm -101.37 116.5 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 108.472 -0.936 . . . . 0.19 108.472 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.508 ' CA ' ' OE1' ' A' ' 6' ' ' GLU . 0.6 OUTLIER -97.97 -3.63 37.91 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.993 -1.067 . . . . 2.25 109.216 179.581 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.6 p -152.13 159.45 43.63 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.837 -1.164 . . . . 0.14999999999999999 110.592 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.36 -32.86 74.72 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.018 -1.104 . . . . 1.6499999999999999 108.018 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.0 m -56.25 -48.27 76.87 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 118.733 -1.187 . . . . 0.23000000000000001 108.718 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.32 -28.74 67.43 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.242 -0.911 . . . . 0.17000000000000001 109.159 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CE2' HD11 ' A' ' 15' ' ' LEU . 51.8 t80 -59.92 -44.54 94.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.082 -1.011 . . . . 0.14000000000000001 109.028 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -66.59 -41.75 88.0 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 120.041 -0.664 . . . . 1.3100000000000001 109.232 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.72 -37.61 88.01 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.39 -0.819 . . . . 1.77 109.761 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.62 78.49 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.277 -0.889 . . . . 0.14999999999999999 109.251 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.587 HD11 ' CE2' ' A' ' 11' ' ' PHE . 47.2 mt -60.09 -39.36 85.85 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.089 -1.078 . . . . 0.17000000000000001 108.089 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -69.96 -34.96 74.07 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.507 -0.745 . . . . 1.0700000000000001 109.905 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.64 -38.03 80.16 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.328 -0.858 . . . . 0.17999999999999999 110.25 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.99 -31.54 72.69 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.21 -0.931 . . . . 0.17000000000000001 109.574 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.01 -124.15 19.62 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.798 -1.321 . . . . 0.20000000000000001 109.798 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -92.0 4.92 51.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.193 -1.181 . . . . 1.0700000000000001 110.841 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -76.67 149.95 36.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.933 -1.104 . . . . 1.5 110.117 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -60.83 152.05 28.22 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.077 -1.453 . . . . 0.46999999999999997 107.077 179.704 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.539 ' H ' HD23 ' A' ' 22' ' ' LEU . 99.0 t -139.44 118.56 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 107.563 -1.273 . . . . 0.17000000000000001 107.563 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.43 141.64 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 107.385 -1.339 . . . . 0.14000000000000001 107.385 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.0 t -125.09 123.94 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.274 -0.892 . . . . 0.13 109.407 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -100.18 119.99 39.19 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.511 -0.743 . . . . 1.05 109.856 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -97.61 30.03 3.09 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.071 -1.018 . . . . 0.72999999999999998 109.768 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.7 m -63.47 148.06 49.64 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 120.726 -1.234 . . . . 0.29999999999999999 110.45 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.659 ' HB1' ' NE1' ' A' ' 31' ' ' TRP . . . -84.99 125.7 32.92 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.466 -1.309 . . . . 0.22 107.466 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 t -68.03 -32.03 72.12 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.577 -1.249 . . . . 0.29999999999999999 108.809 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.659 ' NE1' ' HB1' ' A' ' 29' ' ' ALA . 58.0 p-90 -71.84 -22.58 61.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.452 -0.78 . . . . 0.26000000000000001 110.712 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.4 t -84.19 117.22 23.36 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.898 -1.149 . . . . 0.26000000000000001 107.898 -179.761 -166.552 -168.227 -89.283 105.54 2.027 104.346 -120.507 -46.625 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.436 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -62.43 -52.07 51.83 Favored Glycine 0 N--CA 1.489 2.186 0 C-N-CA 120.35 -0.928 . . . . 0.23000000000000001 111.59 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 35.2 Cg_exo -51.99 -36.25 63.98 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 CA-C-N 118.838 1.319 . . . . 0.31 112.383 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.25 -49.41 13.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.458 -0.776 . . . . 0.23999999999999999 110.201 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -60.03 -37.5 79.98 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.099 -1.001 . . . . 1.5900000000000001 108.696 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -25.96 62.55 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.67 -0.643 . . . . 2.1000000000000001 110.595 -178.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 38' ' ' ILE . 50.3 mt -84.3 -3.99 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.33 -0.856 . . . . 0.48999999999999999 109.995 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.54 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -60.25 -30.0 6.53 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 120.317 -1.489 . . . . 0.80000000000000004 113.362 -178.137 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 38.6 Cg_exo -58.75 -40.0 76.86 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 CA-C-N 121.852 1.697 . . . . 0.28000000000000003 112.511 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -69.24 -46.14 68.04 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 117.936 -1.506 . . . . 0.37 108.605 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.3 t80 -59.99 -52.04 67.07 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.197 -0.939 . . . . 0.16 109.732 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.468 ' ND1' HG21 ' A' ' 2' ' ' VAL . 44.1 t60 -68.0 -43.15 79.53 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.191 0.52 . . . . 0.32000000000000001 110.693 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.459 ' OG ' ' O ' ' A' ' 40' ' ' PRO . 68.7 m -60.66 -39.95 90.27 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.922 -1.111 . . . . 0.22 110.667 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.93 -22.42 64.38 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.155 -0.966 . . . . 0.22 110.84 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.2 m -56.01 -36.28 67.77 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.783 -1.198 . . . . 0.16 108.991 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.607 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 7.3 mp0 -84.64 -18.32 35.8 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.157 -0.965 . . . . 2.1600000000000001 108.68 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -77.08 -39.9 48.04 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.85 -1.156 . . . . 1.78 108.113 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -120.39 68.03 0.85 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 106.866 -1.531 . . . . 0.25 106.866 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.2 p -63.48 -9.14 11.42 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.496 -0.927 . . . . 0.22 108.496 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -90.49 7.23 39.95 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.44 -0.948 . . . . 1.1299999999999999 108.44 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.494 HG13 ' HB3' ' A' ' 22' ' ' LEU . 52.1 t -127.41 143.64 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 107.174 -1.417 . . . . 0.23999999999999999 107.174 178.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.4 mm -100.04 123.55 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.089 -1.007 . . . . 0.14999999999999999 109.377 -178.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.494 ' C ' HD12 ' A' ' 55' ' ' LEU . 43.0 m-85 -103.28 126.62 50.54 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.43 -0.794 . . . . 0.12 109.971 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.494 HD12 ' C ' ' A' ' 54' ' ' PHE . 5.7 mp -109.99 143.03 40.56 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 121.113 -0.992 . . . . 0.22 110.054 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -112.04 129.92 56.05 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.055 -1.461 . . . . 1.1299999999999999 107.055 177.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.0 t -126.63 136.29 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 CA-C-O 121.829 0.823 . . . . 0.14999999999999999 110.142 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 61' ' ' ASP . 56.0 t0 -97.77 119.29 36.1 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 109.003 -0.74 . . . . 1.05 109.003 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.63 -16.57 21.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 120.423 -1.423 . . . . 0.16 108.681 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' OD2' ' CD1' ' A' ' 31' ' ' TRP . 6.8 m-20 -94.36 -40.89 9.71 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.438 -0.789 . . . . 1.0800000000000001 111.373 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.508 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 72.3 m-20 -97.03 -17.37 20.06 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.686 -1.258 . . . . 1.0700000000000001 108.894 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -123.46 39.02 4.06 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 107.332 -1.358 . . . . 0.14000000000000001 107.332 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -60.14 -22.04 62.36 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.719 -0.613 . . . . 1.47 109.534 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.47 -36.04 82.68 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 120.72 -1.237 . . . . 1.05 108.617 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 t -72.01 -45.23 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.076 -1.015 . . . . 0.34999999999999998 109.256 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.32 75.69 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 121.224 0.535 . . . . 0.26000000000000001 110.734 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.407 ' O ' ' OE1' ' A' ' 70' ' ' GLU . 80.6 p -60.43 -36.02 77.2 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.187 -0.946 . . . . 0.23999999999999999 109.505 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.425 ' O ' ' OE1' ' A' ' 70' ' ' GLU . 9.2 tt0 -63.22 -39.19 93.91 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.2 -0.938 . . . . 2.0600000000000001 109.365 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.17 1.63 49.92 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.401 -0.812 . . . . 0.23000000000000001 111.333 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER 54.23 50.02 17.36 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.019 -1.051 . . . . 2.02 109.611 -179.683 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.1 t -66.57 132.04 32.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 C-N-CA 117.933 -1.507 . . . . 0.16 108.724 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -102.9 -14.98 16.32 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.757 -0.59 . . . . 1.6000000000000001 110.028 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.491 ' O ' ' OG1' ' A' ' 76' ' ' THR . . . -161.67 156.04 22.53 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.984 -1.072 . . . . 0.14000000000000001 110.642 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.414 HG23 ' NE1' ' B' ' 67' ' ' TRP . 30.4 p -127.9 155.35 77.72 Favored Pre-proline 0 N--CA 1.497 1.91 0 N-CA-C 107.219 -1.4 . . . . 0.14999999999999999 107.219 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -76.1 141.78 71.51 Favored 'Cis proline' 0 N--CA 1.492 1.423 0 C-N-CA 123.912 -1.287 . . . . 0.16 112.535 -2.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 73' ' ' ALA . 59.7 m -126.58 133.68 51.0 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 108.136 -1.061 . . . . 0.13 108.136 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.433 ' CD1' HD21 ' A' ' 97' ' ' LEU . 93.1 m-85 -110.79 131.23 55.22 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.953 -0.758 . . . . 0.20000000000000001 108.953 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.513 ' HG2' ' HG3' ' A' ' 88' ' ' GLU . 73.8 mt-30 -121.66 140.35 52.4 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.44 -0.787 . . . . 0.28999999999999998 109.032 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -107.34 132.33 53.26 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.392 0.615 . . . . 0.14000000000000001 110.116 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -126.93 150.95 49.09 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 109.178 -0.675 . . . . 0.14999999999999999 109.178 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -151.48 127.63 10.49 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.136 -1.061 . . . . 1.6799999999999999 108.136 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 89.9 mttt 57.73 28.03 15.25 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.004 -1.06 . . . . 1.22 108.173 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 76.02 19.17 78.95 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 108.73 -1.748 . . . . 0.23000000000000001 108.73 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -120.74 132.95 55.33 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.64 -0.918 . . . . 2.0699999999999998 110.445 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -79.25 124.62 28.55 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.31 -0.869 . . . . 1.8200000000000001 108.858 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.4 m -123.9 8.51 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.671 -0.643 . . . . 0.29999999999999999 111.226 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.82 154.18 12.06 Favored Glycine 0 N--CA 1.501 2.972 0 C-N-CA 118.405 -1.855 . . . . 0.17000000000000001 112.037 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.513 ' HG3' ' HG2' ' A' ' 78' ' ' GLN . 2.3 tm-20 -163.13 149.53 12.28 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.746 -0.856 . . . . 1.9299999999999999 109.253 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 9.9 p90 -163.7 159.6 21.7 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.557 -0.714 . . . . 0.14000000000000001 109.125 177.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.5 p -125.87 160.02 30.99 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 109.058 -0.719 . . . . 0.12 109.058 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 125.36 139.05 5.11 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.476 -1.45 . . . . 0.12 109.476 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.26 64.78 2.1 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.999 -1.294 . . . . 0.17999999999999999 109.263 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.41 ' ND2' ' HB2' ' A' ' 96' ' ' LYS . 56.6 t30 -119.48 95.91 4.99 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 108.239 -1.023 . . . . 0.88 108.239 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.82 -32.63 72.47 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.12 -0.988 . . . . 1.0600000000000001 111.5 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -63.57 -30.03 71.2 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.993 -1.067 . . . . 1.6100000000000001 108.996 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.41 ' HB2' ' ND2' ' A' ' 93' ' ' ASN . 70.3 tttt -60.77 -35.25 75.94 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.595 0.712 . . . . 1.45 109.687 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.433 HD21 ' CD1' ' A' ' 77' ' ' PHE . 50.0 mt -59.77 -39.92 86.5 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.944 0.878 . . . . 0.19 108.936 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -61.88 -42.17 98.74 Favored 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 119.101 -1.039 . . . . 2.1000000000000001 110.242 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.95 -44.81 75.91 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.121 -1.032 . . . . 0.19 111.155 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.7 m -65.17 -39.87 93.5 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.785 -1.197 . . . . 0.20000000000000001 109.777 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.4 mt -60.94 -49.86 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.922 -1.14 . . . . 0.16 107.922 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.445 ' O ' HG12 ' A' ' 105' ' ' VAL . 18.5 t-20 -60.09 -35.83 76.06 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 122.015 0.912 . . . . 0.94999999999999996 108.59 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -67.97 -38.48 82.78 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.717 -0.615 . . . . 2.21 109.609 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.558 ' HB2' HD11 ' A' ' 22' ' ' LEU . 52.7 mt -101.49 -0.24 35.46 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.009 -1.057 . . . . 0.25 111.291 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 102' ' ' ASN . 8.4 p . . . . . 0 N--CA 1.497 1.881 0 O-C-N 120.322 -1.486 . . . . 1.0800000000000001 109.13 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo . . . . . 0 N--CA 1.487 1.134 0 N-CA-C 110.567 -0.59 . . . . 1.46 110.567 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.1 122.02 37.33 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.197 -1.038 . . . . 0.88 108.197 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.445 HG22 ' H ' ' B' ' 63' ' ' LYS . 46.9 m -107.82 130.01 55.02 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.905 -0.776 . . . . 0.69999999999999996 108.905 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.81 -30.0 70.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.336 -0.852 . . . . 0.60999999999999999 109.455 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.445 ' H ' HG22 ' B' ' 61' ' ' THR . 69.8 mmtt -60.26 -20.04 57.31 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.45 -0.781 . . . . 1.3100000000000001 109.352 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 34.0 mm -130.9 140.11 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.383 0 O-C-N 121.902 -0.499 . . . . 0.14999999999999999 110.17 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' CYS . . . . . . . . . . . . . 14.9 m -97.47 128.84 44.57 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.337 -1.357 . . . . 0.19 107.337 177.369 -46.625 -120.507 -89.283 104.346 2.027 105.54 -168.227 -166.552 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 52.9 m -80.07 141.01 36.24 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.819 -1.176 . . . . 0.20000000000000001 110.707 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' TRP . . . . . 0.437 ' HE1' ' CA ' ' A' ' 73' ' ' ALA . 22.0 m95 -76.71 -10.0 59.07 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.935 -1.103 . . . . 0.20999999999999999 109.062 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -54.64 -11.76 0.63 Allowed 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.276 -0.89 . . . . 0.48999999999999999 108.841 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.418 ' N ' ' C ' ' B' ' 67' ' ' TRP . 23.1 m -61.23 145.92 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 119.457 -0.897 . . . . 1.04 109.301 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -60.19 -34.5 73.69 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.482 -1.303 . . . . 1.3600000000000001 107.482 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 117.92 -1.489 . . . . 2.3199999999999998 110.043 179.113 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 mmm . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.532 0.682 . . . . 2.8799999999999999 109.623 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.468 HG21 ' ND1' ' A' ' 43' ' ' HIS . 93.1 t -102.06 145.58 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 107.188 -1.412 . . . . 0.45000000000000001 107.188 178.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -129.73 128.07 41.72 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.597 -1.26 . . . . 1.6699999999999999 107.597 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.433 ' HG2' ' OE1' ' A' ' 6' ' ' GLU . 63.3 tt0 -98.61 123.69 42.94 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.421 -0.955 . . . . 0.31 108.421 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.8 mm -101.37 116.5 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 108.472 -0.936 . . . . 0.19 108.472 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.508 ' CA ' ' OE1' ' A' ' 6' ' ' GLU . 0.6 OUTLIER -97.97 -3.63 37.91 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.993 -1.067 . . . . 2.25 109.216 179.581 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.6 p -152.13 159.45 43.63 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.837 -1.164 . . . . 0.14999999999999999 110.592 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.36 -32.86 74.72 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.018 -1.104 . . . . 1.6499999999999999 108.018 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.0 m -56.25 -48.27 76.87 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 118.733 -1.187 . . . . 0.23000000000000001 108.718 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.32 -28.74 67.43 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.242 -0.911 . . . . 0.17000000000000001 109.159 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CE2' HD11 ' A' ' 15' ' ' LEU . 51.8 t80 -59.92 -44.54 94.26 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.082 -1.011 . . . . 0.14000000000000001 109.028 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -66.59 -41.75 88.0 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 120.041 -0.664 . . . . 1.3100000000000001 109.232 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.72 -37.61 88.01 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.39 -0.819 . . . . 1.77 109.761 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.62 78.49 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.277 -0.889 . . . . 0.14999999999999999 109.251 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.587 HD11 ' CE2' ' A' ' 11' ' ' PHE . 47.2 mt -60.09 -39.36 85.85 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.089 -1.078 . . . . 0.17000000000000001 108.089 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -69.96 -34.96 74.07 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.507 -0.745 . . . . 1.0700000000000001 109.905 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.64 -38.03 80.16 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.328 -0.858 . . . . 0.17999999999999999 110.25 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.99 -31.54 72.69 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.21 -0.931 . . . . 0.17000000000000001 109.574 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.01 -124.15 19.62 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.798 -1.321 . . . . 0.20000000000000001 109.798 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -92.0 4.92 51.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.193 -1.181 . . . . 1.0700000000000001 110.841 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -76.67 149.95 36.41 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.933 -1.104 . . . . 1.5 110.117 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -60.83 152.05 28.22 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.077 -1.453 . . . . 0.46999999999999997 107.077 179.704 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.539 ' H ' HD23 ' A' ' 22' ' ' LEU . 99.0 t -139.44 118.56 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 107.563 -1.273 . . . . 0.17000000000000001 107.563 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.43 141.64 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 107.385 -1.339 . . . . 0.14000000000000001 107.385 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.0 t -125.09 123.94 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.274 -0.892 . . . . 0.13 109.407 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -100.18 119.99 39.19 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.511 -0.743 . . . . 1.05 109.856 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -97.61 30.03 3.09 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.071 -1.018 . . . . 0.72999999999999998 109.768 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.7 m -63.47 148.06 49.64 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 120.726 -1.234 . . . . 0.29999999999999999 110.45 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.659 ' HB1' ' NE1' ' A' ' 31' ' ' TRP . . . -84.99 125.7 32.92 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.466 -1.309 . . . . 0.22 107.466 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 t -68.03 -32.03 72.12 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.577 -1.249 . . . . 0.29999999999999999 108.809 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.659 ' NE1' ' HB1' ' A' ' 29' ' ' ALA . 58.0 p-90 -71.84 -22.58 61.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.452 -0.78 . . . . 0.26000000000000001 110.712 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.4 t -84.19 117.22 23.36 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.898 -1.149 . . . . 0.26000000000000001 107.898 -179.761 -166.552 -168.227 -89.283 105.54 2.027 104.346 -120.507 -46.625 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.436 ' N ' ' CD ' ' A' ' 34' ' ' PRO . . . -62.43 -52.07 51.83 Favored Glycine 0 N--CA 1.489 2.186 0 C-N-CA 120.35 -0.928 . . . . 0.23000000000000001 111.59 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 35.2 Cg_exo -51.99 -36.25 63.98 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 CA-C-N 118.838 1.319 . . . . 0.31 112.383 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.25 -49.41 13.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.458 -0.776 . . . . 0.23999999999999999 110.201 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -60.03 -37.5 79.98 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.099 -1.001 . . . . 1.5900000000000001 108.696 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -25.96 62.55 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.67 -0.643 . . . . 2.1000000000000001 110.595 -178.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 38' ' ' ILE . 50.3 mt -84.3 -3.99 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.33 -0.856 . . . . 0.48999999999999999 109.995 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.54 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -60.25 -30.0 6.53 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 120.317 -1.489 . . . . 0.80000000000000004 113.362 -178.137 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 38.6 Cg_exo -58.75 -40.0 76.86 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 CA-C-N 121.852 1.697 . . . . 0.28000000000000003 112.511 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -69.24 -46.14 68.04 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 117.936 -1.506 . . . . 0.37 108.605 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.3 t80 -59.99 -52.04 67.07 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.197 -0.939 . . . . 0.16 109.732 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.468 ' ND1' HG21 ' A' ' 2' ' ' VAL . 44.1 t60 -68.0 -43.15 79.53 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.191 0.52 . . . . 0.32000000000000001 110.693 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.459 ' OG ' ' O ' ' A' ' 40' ' ' PRO . 68.7 m -60.66 -39.95 90.27 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.922 -1.111 . . . . 0.22 110.667 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.93 -22.42 64.38 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.155 -0.966 . . . . 0.22 110.84 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.2 m -56.01 -36.28 67.77 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.783 -1.198 . . . . 0.16 108.991 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.607 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 7.3 mp0 -84.64 -18.32 35.8 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.157 -0.965 . . . . 2.1600000000000001 108.68 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -77.08 -39.9 48.04 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.85 -1.156 . . . . 1.78 108.113 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -120.39 68.03 0.85 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 106.866 -1.531 . . . . 0.25 106.866 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.2 p -63.48 -9.14 11.42 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.496 -0.927 . . . . 0.22 108.496 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -90.49 7.23 39.95 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.44 -0.948 . . . . 1.1299999999999999 108.44 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.494 HG13 ' HB3' ' A' ' 22' ' ' LEU . 52.1 t -127.41 143.64 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 107.174 -1.417 . . . . 0.23999999999999999 107.174 178.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.4 mm -100.04 123.55 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.089 -1.007 . . . . 0.14999999999999999 109.377 -178.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.494 ' C ' HD12 ' A' ' 55' ' ' LEU . 43.0 m-85 -103.28 126.62 50.54 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.43 -0.794 . . . . 0.12 109.971 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.494 HD12 ' C ' ' A' ' 54' ' ' PHE . 5.7 mp -109.99 143.03 40.56 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 121.113 -0.992 . . . . 0.22 110.054 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -112.04 129.92 56.05 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.055 -1.461 . . . . 1.1299999999999999 107.055 177.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.0 t -126.63 136.29 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 CA-C-O 121.829 0.823 . . . . 0.14999999999999999 110.142 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 61' ' ' ASP . 56.0 t0 -97.77 119.29 36.1 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 109.003 -0.74 . . . . 1.05 109.003 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.63 -16.57 21.1 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 120.423 -1.423 . . . . 0.16 108.681 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' OD2' ' CD1' ' A' ' 31' ' ' TRP . 6.8 m-20 -94.36 -40.89 9.71 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.438 -0.789 . . . . 1.0800000000000001 111.373 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.508 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 72.3 m-20 -97.03 -17.37 20.06 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.686 -1.258 . . . . 1.0700000000000001 108.894 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -123.46 39.02 4.06 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 107.332 -1.358 . . . . 0.14000000000000001 107.332 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -60.14 -22.04 62.36 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.719 -0.613 . . . . 1.47 109.534 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -65.47 -36.04 82.68 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 120.72 -1.237 . . . . 1.05 108.617 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 t -72.01 -45.23 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.076 -1.015 . . . . 0.34999999999999998 109.256 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.9 -40.32 75.69 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-O 121.224 0.535 . . . . 0.26000000000000001 110.734 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.407 ' O ' ' OE1' ' A' ' 70' ' ' GLU . 80.6 p -60.43 -36.02 77.2 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.187 -0.946 . . . . 0.23999999999999999 109.505 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.425 ' O ' ' OE1' ' A' ' 70' ' ' GLU . 9.2 tt0 -63.22 -39.19 93.91 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.2 -0.938 . . . . 2.0600000000000001 109.365 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.17 1.63 49.92 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.401 -0.812 . . . . 0.23000000000000001 111.333 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER 54.23 50.02 17.36 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.019 -1.051 . . . . 2.02 109.611 -179.683 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.1 t -66.57 132.04 32.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 C-N-CA 117.933 -1.507 . . . . 0.16 108.724 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -102.9 -14.98 16.32 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.757 -0.59 . . . . 1.6000000000000001 110.028 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.491 ' O ' ' OG1' ' A' ' 76' ' ' THR . . . -161.67 156.04 22.53 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.984 -1.072 . . . . 0.14000000000000001 110.642 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.414 HG23 ' NE1' ' B' ' 67' ' ' TRP . 30.4 p -127.9 155.35 77.72 Favored Pre-proline 0 N--CA 1.497 1.91 0 N-CA-C 107.219 -1.4 . . . . 0.14999999999999999 107.219 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -76.1 141.78 71.51 Favored 'Cis proline' 0 N--CA 1.492 1.423 0 C-N-CA 123.912 -1.287 . . . . 0.16 112.535 -2.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 73' ' ' ALA . 59.7 m -126.58 133.68 51.0 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 108.136 -1.061 . . . . 0.13 108.136 178.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.433 ' CD1' HD21 ' A' ' 97' ' ' LEU . 93.1 m-85 -110.79 131.23 55.22 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.953 -0.758 . . . . 0.20000000000000001 108.953 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.513 ' HG2' ' HG3' ' A' ' 88' ' ' GLU . 73.8 mt-30 -121.66 140.35 52.4 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.44 -0.787 . . . . 0.28999999999999998 109.032 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -107.34 132.33 53.26 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.392 0.615 . . . . 0.14000000000000001 110.116 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -126.93 150.95 49.09 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 109.178 -0.675 . . . . 0.14999999999999999 109.178 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -151.48 127.63 10.49 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.136 -1.061 . . . . 1.6799999999999999 108.136 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 89.9 mttt 57.73 28.03 15.25 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.004 -1.06 . . . . 1.22 108.173 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 76.02 19.17 78.95 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 108.73 -1.748 . . . . 0.23000000000000001 108.73 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.74 132.95 55.33 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.64 -0.918 . . . . 2.0699999999999998 110.445 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -79.25 124.62 28.55 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.31 -0.869 . . . . 1.8200000000000001 108.858 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.4 m -123.9 8.51 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.671 -0.643 . . . . 0.29999999999999999 111.226 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.82 154.18 12.06 Favored Glycine 0 N--CA 1.501 2.972 0 C-N-CA 118.405 -1.855 . . . . 0.17000000000000001 112.037 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.513 ' HG3' ' HG2' ' A' ' 78' ' ' GLN . 2.3 tm-20 -163.13 149.53 12.28 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.746 -0.856 . . . . 1.9299999999999999 109.253 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 9.9 p90 -163.7 159.6 21.7 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.557 -0.714 . . . . 0.14000000000000001 109.125 177.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.5 p -125.87 160.02 30.99 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 109.058 -0.719 . . . . 0.12 109.058 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 125.36 139.05 5.11 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.476 -1.45 . . . . 0.12 109.476 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.26 64.78 2.1 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.999 -1.294 . . . . 0.17999999999999999 109.263 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -119.48 95.91 4.99 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 108.239 -1.023 . . . . 0.88 108.239 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.82 -32.63 72.47 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.12 -0.988 . . . . 1.0600000000000001 111.5 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -63.57 -30.03 71.2 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.993 -1.067 . . . . 1.6100000000000001 108.996 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -60.77 -35.25 75.94 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 121.595 0.712 . . . . 1.45 109.687 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.433 HD21 ' CD1' ' A' ' 77' ' ' PHE . 50.0 mt -59.77 -39.92 86.5 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.944 0.878 . . . . 0.19 108.936 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -61.88 -42.17 98.74 Favored 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 119.101 -1.039 . . . . 2.1000000000000001 110.242 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.95 -44.81 75.91 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 119.121 -1.032 . . . . 0.19 111.155 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.7 m -65.17 -39.87 93.5 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.785 -1.197 . . . . 0.20000000000000001 109.777 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.4 mt -60.94 -49.86 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 107.922 -1.14 . . . . 0.16 107.922 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.445 ' O ' HG12 ' A' ' 105' ' ' VAL . 18.5 t-20 -60.09 -35.83 76.06 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 122.015 0.912 . . . . 0.94999999999999996 108.59 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -67.97 -38.48 82.78 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.717 -0.615 . . . . 2.21 109.609 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.558 ' HB2' HD11 ' A' ' 22' ' ' LEU . 52.7 mt -101.49 -0.24 35.46 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.009 -1.057 . . . . 0.25 111.291 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 102' ' ' ASN . 8.4 p . . . . . 0 N--CA 1.497 1.881 0 O-C-N 120.322 -1.486 . . . . 1.0800000000000001 109.13 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo . . . . . 0 N--CA 1.487 1.134 0 N-CA-C 110.567 -0.59 . . . . 1.46 110.567 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.1 122.02 37.33 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.197 -1.038 . . . . 0.88 108.197 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.445 HG22 ' H ' ' B' ' 63' ' ' LYS . 46.9 m -107.82 130.01 55.02 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.905 -0.776 . . . . 0.69999999999999996 108.905 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.81 -30.0 70.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.336 -0.852 . . . . 0.60999999999999999 109.455 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.445 ' H ' HG22 ' B' ' 61' ' ' THR . 69.8 mmtt -60.26 -20.04 57.31 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.45 -0.781 . . . . 1.3100000000000001 109.352 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 34.0 mm -130.9 140.11 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.383 0 O-C-N 121.902 -0.499 . . . . 0.14999999999999999 110.17 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' CYS . . . . . . . . . . . . . 14.9 m -97.47 128.84 44.57 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.337 -1.357 . . . . 0.19 107.337 177.369 -46.625 -120.507 -89.283 104.346 2.027 105.54 -168.227 -166.552 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 52.9 m -80.07 141.01 36.24 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.819 -1.176 . . . . 0.20000000000000001 110.707 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' TRP . . . . . 0.437 ' HE1' ' CA ' ' A' ' 73' ' ' ALA . 22.0 m95 -76.71 -10.0 59.07 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.935 -1.103 . . . . 0.20999999999999999 109.062 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -54.64 -11.76 0.63 Allowed 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.276 -0.89 . . . . 0.48999999999999999 108.841 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.418 ' N ' ' C ' ' B' ' 67' ' ' TRP . 23.1 m -61.23 145.92 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 119.457 -0.897 . . . . 1.04 109.301 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -60.19 -34.5 73.69 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.482 -1.303 . . . . 1.3600000000000001 107.482 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 117.92 -1.489 . . . . 2.3199999999999998 110.043 179.113 . . . . . . . . 0 0 . 1 stop_ save_