data_1lms_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 1lms _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 ' 9' ' ' LEU . . . . . 0.513 ' CD2' ' HA ' ' A' ' 90' ' ' ASP . 1.2 mp . . . . . 0 N--CA 1.444 -0.737 0 CA-C-O 120.413 0.149 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -43.57 -47.37 7.4 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.856 1.262 . . . . 0.0 111.647 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -26.14 -41.73 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 128.881 2.873 . . . . 0.0 117.052 164.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.4 p -127.44 -34.65 2.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.27 -65.5 0.56 Allowed 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 121.655 0.741 . . . . 0.0 109.758 172.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' SG ' ' HHC' ' A' ' 118' ' ' HEC . 85.6 m -144.93 51.22 1.24 Allowed 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -157.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -103.57 -37.84 7.38 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.751 2.421 . . . . 0.0 109.377 174.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.54 -54.94 6.82 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.539 1.135 . . . . 0.0 112.262 -171.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.8 m -83.22 -69.49 0.63 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.015 173.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -54.33 164.95 0.6 Allowed 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -167.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . 0.32 2.4 t -131.65 -167.45 1.87 Allowed 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 113.126 -1.852 . . . . 0.0 112.762 147.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.0 p -136.44 -34.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 125.797 1.639 . . . . 0.0 110.579 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -129.35 175.55 8.66 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.91 1.684 . . . . 0.0 109.848 175.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.4 mttt 70.09 114.74 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 118.295 2.702 . . . . 0.0 118.295 139.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.0 -62.06 2.12 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 123.79 0.71 . . . . 0.0 112.25 168.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 39.8 45.81 2.9 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.373 1.463 . . . . 0.0 112.301 -165.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -60.69 -36.61 84.16 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.142 1.895 . . . . 0.0 112.957 -167.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.37 -178.65 4.65 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.235 -142.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mttp 27.05 -86.44 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 117.64 2.459 . . . . 0.0 117.64 149.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . 0.276 0.1 OUTLIER -101.15 -124.04 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 119.113 -1.035 . . . . 0.0 112.4 -115.639 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.13 119.03 5.22 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 103.869 -3.692 . . . . 0.0 103.869 165.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -75.43 165.38 30.8 Favored 'Trans proline' 0 N--CA 1.431 -2.187 0 CA-C-N 119.885 1.843 . . . . 0.0 109.277 171.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -71.79 147.7 46.99 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-N 112.639 -2.073 . . . . 0.0 110.814 -165.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.2 mt -81.95 -36.52 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 113.223 -1.808 . . . . 0.0 112.171 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.4 t60 61.59 -19.63 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 165.89 110.38 0.23 Allowed Glycine 0 CA--C 1.524 0.607 0 CA-C-N 120.875 1.67 . . . . 0.0 111.966 -172.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mt -111.43 35.93 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 125.729 1.612 . . . . 0.0 110.488 -172.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -135.85 80.6 1.84 Allowed 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.341 1.056 . . . . 0.0 109.0 -169.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.71 38.01 7.73 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.199 -1.16 . . . . 0.0 110.199 -166.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -94.17 156.24 16.66 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 167.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -124.26 113.98 18.98 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 171.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 p 56.01 -178.17 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 123.701 1.715 . . . . 0.0 114.314 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.79 91.13 0.03 OUTLIER Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 106.684 -2.566 . . . . 0.0 106.684 160.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -131.52 109.48 10.29 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 122.625 1.202 . . . . 0.0 112.792 174.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.24 -169.33 3.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.519 167.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -63.79 9.43 0.06 Allowed 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 162.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -55.17 163.75 4.13 Favored Glycine 0 CA--C 1.534 1.263 0 O-C-N 120.63 -1.294 . . . . 0.0 110.418 151.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.65 -9.71 15.26 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 175.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.46 ' C ' ' H ' ' A' ' 49' ' ' THR . 1.4 t -99.47 -20.27 16.52 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 123.909 0.884 . . . . 0.0 111.908 -121.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -58.64 7.72 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 128.969 2.908 . . . . 0.0 113.542 167.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.46 ' H ' ' C ' ' A' ' 47' ' ' SER . 33.1 p -37.95 10.7 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.961 1 C-N-CA 131.717 4.007 . . . . 0.0 120.509 173.522 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.98 44.49 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 122.219 2.281 . . . . 0.0 114.86 174.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 179.74 -96.5 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.146 -1.596 . . . . 0.0 113.83 168.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -39.12 -47.27 1.55 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 129.811 3.244 . . . . 0.0 115.032 -167.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 tt -61.33 -39.14 81.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -67.91 -39.09 83.62 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.242 1.017 . . . . 0.0 109.857 177.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -64.99 -39.53 93.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.804 0.842 . . . . 0.0 110.73 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 66.89 45.07 1.92 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.115 1.766 . . . . 0.0 112.091 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 p -66.19 107.29 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -169.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.6 130.05 44.93 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.189 -0.945 . . . . 0.0 113.41 -176.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -119.25 87.85 2.82 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.481 2.312 . . . . 0.0 110.297 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -176.57 82.23 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.62 2.368 . . . . 0.0 110.317 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -169.81 -153.33 0.1 Allowed 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 117.206 2.299 . . . . 0.0 117.206 -143.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -149.03 -56.96 0.2 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 129.031 2.933 . . . . 0.0 106.541 -155.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -54.5 -40.53 68.62 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.487 -0.758 . . . . 0.0 111.353 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.3 ptm -55.05 -36.45 65.57 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.507 1.123 . . . . 0.0 113.005 171.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -53.55 56.93 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -59.48 -54.13 50.18 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 171.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -60.99 -40.18 92.49 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -173.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.9 mt -76.39 -39.2 54.36 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 118.47 -0.776 . . . . 0.0 111.407 172.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.3 m -51.28 -48.73 62.17 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.01 1.277 . . . . 0.0 110.212 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -77.35 153.77 81.87 Favored Pre-proline 0 N--CA 1.449 -0.508 0 CA-C-O 121.126 0.488 . . . . 0.0 111.312 173.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -69.18 71.51 1.22 Allowed 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 123.683 2.922 . . . . 0.0 109.431 169.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.64 -40.14 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.132 0.973 . . . . 0.0 111.362 -174.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . 0.264 0.0 OUTLIER 46.28 68.55 0.59 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.825 1.65 . . . . 0.0 114.66 172.459 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -169.05 90.43 0.22 Allowed 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -177.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.306 0.5 OUTLIER -43.74 -35.52 1.79 Allowed Pre-proline 0 CA--C 1.552 1.021 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 157.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -81.84 14.4 2.21 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 N-CA-C 117.483 2.07 . . . . 0.0 117.483 -173.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.33 -7.94 5.34 Favored Glycine 0 CA--C 1.54 1.612 0 N-CA-C 119.622 2.609 . . . . 0.0 119.622 159.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.8 m -149.94 148.35 28.99 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 120.062 1.931 . . . . 0.0 115.087 -138.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 67.19 -164.68 0.22 Allowed 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 151.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.5 ttp -172.55 -61.71 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -129.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.68 29.12 0.06 Allowed 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 116.814 2.154 . . . . 0.0 116.814 -157.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.422 ' CD1' HMC3 ' A' ' 118' ' ' HEC . 2.1 t80 -56.64 -27.14 57.85 Favored 'General case' 0 CA--C 1.554 1.115 0 O-C-N 120.928 -1.108 . . . . 0.0 110.001 148.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 114.53 31.64 2.12 Favored Glycine 0 N--CA 1.472 1.053 0 C-N-CA 115.701 -3.142 . . . . 0.0 119.583 118.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.04 27.11 4.98 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-N 118.445 1.123 . . . . 0.0 110.641 168.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.65 ' CD1' ' H ' ' A' ' 86' ' ' LYS . 13.6 tp -62.58 175.69 0.76 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 122.428 1.109 . . . . 0.0 108.549 120.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.65 ' H ' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.54 -43.92 0.08 Allowed 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -144.552 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -123.41 163.58 20.56 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 118.807 -1.157 . . . . 0.0 113.714 -121.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 35.77 -100.24 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 149.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.89 38.38 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 118.93 -1.108 . . . . 0.0 112.236 -138.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.513 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -79.18 -46.75 17.3 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 123.224 1.488 . . . . 0.0 110.925 176.595 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.406 ' CD ' ' C ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -45.09 -44.81 10.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.416 -1.265 . . . . 0.0 112.585 172.075 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -51.09 -59.02 4.62 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.027 0.83 . . . . 0.0 111.361 -174.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.55 -46.94 83.29 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.498 1.519 . . . . 0.0 112.821 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.3 -58.83 5.72 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.236 -0.915 . . . . 0.0 112.652 175.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.3 mp -57.14 -38.79 62.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 123.843 0.857 . . . . 0.0 110.393 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.24 -51.86 55.89 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.843 1.201 . . . . 0.0 112.354 168.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -49.11 78.43 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.164 0.985 . . . . 0.0 111.055 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 77.5 mt -57.55 -43.82 84.73 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-O 118.69 -0.671 . . . . 0.0 111.306 173.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -57.41 8.82 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 120.085 1.311 . . . . 0.0 110.67 172.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.63 -39.12 70.4 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 176.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.41 -43.47 66.74 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.2 m -88.73 -58.21 2.63 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.884 2.074 . . . . 0.0 113.221 -171.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.252 1.208 0 C-N-CA 125.926 1.691 . . . . 0.0 111.767 -175.725 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' HEC . . . . . 0.43 ' HHC' ' SG ' ' A' ' 14' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.558 ' CD2' ' HA ' ' A' ' 90' ' ' ASP . 1.2 mp . . . . . 0 N--CA 1.444 -0.737 0 CA-C-O 120.413 0.149 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -43.57 -47.37 7.4 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.856 1.262 . . . . 0.0 111.647 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -26.14 -41.73 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 128.881 2.873 . . . . 0.0 117.052 164.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.4 p -127.44 -34.65 2.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.27 -65.5 0.56 Allowed 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 121.655 0.741 . . . . 0.0 109.758 172.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' HHC' ' A' ' 118' ' ' HEC . 85.6 m -144.93 51.22 1.24 Allowed 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -157.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.43 ' C ' HD13 ' A' ' 15' ' ' LEU . 2.8 tm? -103.57 -37.84 7.38 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.751 2.421 . . . . 0.0 109.377 174.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.54 -54.94 6.82 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.539 1.135 . . . . 0.0 112.262 -171.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.8 m -83.22 -69.49 0.63 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.015 173.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.51 ' CE1' HD21 ' A' ' 32' ' ' LEU . 54.4 m-70 -54.33 164.95 0.6 Allowed 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -167.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 31' ' ' ASN 0.32 2.4 t -131.65 -167.45 1.87 Allowed 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 113.126 -1.852 . . . . 0.0 112.762 147.825 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.0 p -136.44 -34.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 125.797 1.639 . . . . 0.0 110.579 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -129.35 175.55 8.66 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.91 1.684 . . . . 0.0 109.848 175.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.4 mttt 70.09 114.74 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 118.295 2.702 . . . . 0.0 118.295 139.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.0 -62.06 2.12 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 123.79 0.71 . . . . 0.0 112.25 168.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 39.8 45.81 2.9 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.373 1.463 . . . . 0.0 112.301 -165.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -60.69 -36.61 84.16 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.142 1.895 . . . . 0.0 112.957 -167.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.37 -178.65 4.65 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.235 -142.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HB3' HG13 ' A' ' 28' ' ' VAL . 46.9 mttp 27.05 -86.44 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 117.64 2.459 . . . . 0.0 117.64 149.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.485 ' HB ' ' H ' ' A' ' 29' ' ' GLY 0.276 0.1 OUTLIER -101.15 -124.04 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 119.113 -1.035 . . . . 0.0 112.4 -115.639 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.485 ' H ' ' HB ' ' A' ' 28' ' ' VAL . . . -88.13 119.03 5.22 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 103.869 -3.692 . . . . 0.0 103.869 165.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -75.43 165.38 30.8 Favored 'Trans proline' 0 N--CA 1.431 -2.187 0 CA-C-N 119.885 1.843 . . . . 0.0 109.277 171.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 19' ' ' THR . 0.6 OUTLIER -71.79 147.7 46.99 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-N 112.639 -2.073 . . . . 0.0 110.814 -165.725 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.51 HD21 ' CE1' ' A' ' 18' ' ' HIS . 35.2 mt -81.95 -36.52 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 113.223 -1.808 . . . . 0.0 112.171 -178.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.4 t60 61.59 -19.63 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 165.89 110.38 0.23 Allowed Glycine 0 CA--C 1.524 0.607 0 CA-C-N 120.875 1.67 . . . . 0.0 111.966 -172.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.495 HD11 HD13 ' A' ' 32' ' ' LEU . 3.6 mt -111.43 35.93 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 125.729 1.612 . . . . 0.0 110.488 -172.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -135.85 80.6 1.84 Allowed 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.341 1.056 . . . . 0.0 109.0 -169.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.426 ' H ' ' HB2' ' A' ' 60' ' ' ASP . . . 87.71 38.01 7.73 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.199 -1.16 . . . . 0.0 110.199 -166.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -94.17 156.24 16.66 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 167.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -124.26 113.98 18.98 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 171.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 p 56.01 -178.17 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 123.701 1.715 . . . . 0.0 114.314 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.79 91.13 0.03 OUTLIER Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 106.684 -2.566 . . . . 0.0 106.684 160.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -131.52 109.48 10.29 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 122.625 1.202 . . . . 0.0 112.792 174.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.24 -169.33 3.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.519 167.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -63.79 9.43 0.06 Allowed 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 162.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -55.17 163.75 4.13 Favored Glycine 0 CA--C 1.534 1.263 0 O-C-N 120.63 -1.294 . . . . 0.0 110.418 151.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.674 ' O ' HG23 ' A' ' 49' ' ' THR . 0.1 OUTLIER -108.65 -9.71 15.26 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 175.659 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 49' ' ' THR . 1.4 t -99.47 -20.27 16.52 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 123.909 0.884 . . . . 0.0 111.908 -121.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -58.64 7.72 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 128.969 2.908 . . . . 0.0 113.542 167.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 46' ' ' TYR . 33.1 p -37.95 10.7 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.961 1 C-N-CA 131.717 4.007 . . . . 0.0 120.509 173.522 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.452 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -178.98 44.49 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 122.219 2.281 . . . . 0.0 114.86 174.463 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 50' ' ' ASP . . . 179.74 -96.5 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.146 -1.596 . . . . 0.0 113.83 168.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -39.12 -47.27 1.55 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 129.811 3.244 . . . . 0.0 115.032 -167.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 tt -61.33 -39.14 81.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -67.91 -39.09 83.62 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.242 1.017 . . . . 0.0 109.857 177.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -64.99 -39.53 93.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.804 0.842 . . . . 0.0 110.73 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 66.89 45.07 1.92 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.115 1.766 . . . . 0.0 112.091 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.768 HG22 HG22 ' A' ' 75' ' ' ILE . 1.7 p -66.19 107.29 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -169.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.617 HD22 ' N ' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -59.6 130.05 44.93 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.189 -0.945 . . . . 0.0 113.41 -176.625 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.617 ' N ' HD22 ' A' ' 58' ' ' LEU . 33.2 m95 -119.25 87.85 2.82 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.481 2.312 . . . . 0.0 110.297 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HB2' ' H ' ' A' ' 37' ' ' GLY . 34.7 t0 -176.57 82.23 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.62 2.368 . . . . 0.0 110.317 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -169.81 -153.33 0.1 Allowed 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 117.206 2.299 . . . . 0.0 117.206 -143.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -149.03 -56.96 0.2 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 129.031 2.933 . . . . 0.0 106.541 -155.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -54.5 -40.53 68.62 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.487 -0.758 . . . . 0.0 111.353 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.3 ptm -55.05 -36.45 65.57 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.507 1.123 . . . . 0.0 113.005 171.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -53.55 56.93 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -59.48 -54.13 50.18 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 171.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.422 ' HB3' ' H ' ' A' ' 74' ' ' TYR . 38.4 m-85 -60.99 -40.18 92.49 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -173.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.423 HD22 HMB2 ' A' ' 118' ' ' HEC . 66.9 mt -76.39 -39.2 54.36 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 118.47 -0.776 . . . . 0.0 111.407 172.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.3 m -51.28 -48.73 62.17 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.01 1.277 . . . . 0.0 110.212 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -77.35 153.77 81.87 Favored Pre-proline 0 N--CA 1.449 -0.508 0 CA-C-O 121.126 0.488 . . . . 0.0 111.312 173.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -69.18 71.51 1.22 Allowed 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 123.683 2.922 . . . . 0.0 109.431 169.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.64 -40.14 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.132 0.973 . . . . 0.0 111.362 -174.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . 0.264 0.0 OUTLIER 46.28 68.55 0.59 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.825 1.65 . . . . 0.0 114.66 172.459 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.422 ' H ' ' HB3' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -169.05 90.43 0.22 Allowed 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -177.661 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.768 HG22 HG22 ' A' ' 57' ' ' VAL 0.306 0.5 OUTLIER -43.74 -35.52 1.79 Allowed Pre-proline 0 CA--C 1.552 1.021 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 157.929 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.414 ' HD2' ' C ' ' A' ' 74' ' ' TYR . 68.9 Cg_endo -81.84 14.4 2.21 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 N-CA-C 117.483 2.07 . . . . 0.0 117.483 -173.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.33 -7.94 5.34 Favored Glycine 0 CA--C 1.54 1.612 0 N-CA-C 119.622 2.609 . . . . 0.0 119.622 159.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.8 m -149.94 148.35 28.99 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 120.062 1.931 . . . . 0.0 115.087 -138.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 67.19 -164.68 0.22 Allowed 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 151.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.5 ttp -172.55 -61.71 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -129.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.68 29.12 0.06 Allowed 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 116.814 2.154 . . . . 0.0 116.814 -157.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.448 ' CD1' HMC2 ' A' ' 118' ' ' HEC . 2.1 t80 -56.64 -27.14 57.85 Favored 'General case' 0 CA--C 1.554 1.115 0 O-C-N 120.928 -1.108 . . . . 0.0 110.001 148.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 114.53 31.64 2.12 Favored Glycine 0 N--CA 1.472 1.053 0 C-N-CA 115.701 -3.142 . . . . 0.0 119.583 118.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.04 27.11 4.98 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-N 118.445 1.123 . . . . 0.0 110.641 168.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.619 HD12 ' H ' ' A' ' 86' ' ' LYS . 13.6 tp -62.58 175.69 0.76 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 122.428 1.109 . . . . 0.0 108.549 120.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.619 ' H ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.54 -43.92 0.08 Allowed 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -144.552 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -123.41 163.58 20.56 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 118.807 -1.157 . . . . 0.0 113.714 -121.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 35.77 -100.24 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 149.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.89 38.38 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 118.93 -1.108 . . . . 0.0 112.236 -138.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.574 ' OD2' HD21 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -79.18 -46.75 17.3 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 123.224 1.488 . . . . 0.0 110.925 176.595 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.531 ' HD2' ' C ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -45.09 -44.81 10.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.416 -1.265 . . . . 0.0 112.585 172.075 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -51.09 -59.02 4.62 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.027 0.83 . . . . 0.0 111.361 -174.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.55 -46.94 83.29 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.498 1.519 . . . . 0.0 112.821 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.3 -58.83 5.72 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.236 -0.915 . . . . 0.0 112.652 175.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.3 mp -57.14 -38.79 62.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 123.843 0.857 . . . . 0.0 110.393 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.24 -51.86 55.89 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.843 1.201 . . . . 0.0 112.354 168.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -49.11 78.43 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.164 0.985 . . . . 0.0 111.055 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 77.5 mt -57.55 -43.82 84.73 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-O 118.69 -0.671 . . . . 0.0 111.306 173.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -57.41 8.82 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 120.085 1.311 . . . . 0.0 110.67 172.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.63 -39.12 70.4 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 176.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.41 -43.47 66.74 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.2 m -88.73 -58.21 2.63 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.884 2.074 . . . . 0.0 113.221 -171.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.252 1.208 0 C-N-CA 125.926 1.691 . . . . 0.0 111.767 -175.725 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 118' ' ' HEC . . . . . 0.743 HMB1 ' CBB' ' A' ' 118' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.558 ' CD2' ' HA ' ' A' ' 90' ' ' ASP . 1.2 mp . . . . . 0 N--CA 1.444 -0.737 0 CA-C-O 120.413 0.149 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -43.57 -47.37 7.4 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.856 1.262 . . . . 0.0 111.647 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -26.14 -41.73 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 128.881 2.873 . . . . 0.0 117.052 164.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.4 p -127.44 -34.65 2.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.27 -65.5 0.56 Allowed 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 121.655 0.741 . . . . 0.0 109.758 172.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' HHC' ' A' ' 118' ' ' HEC . 85.6 m -144.93 51.22 1.24 Allowed 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -157.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.43 ' C ' HD13 ' A' ' 15' ' ' LEU . 2.8 tm? -103.57 -37.84 7.38 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.751 2.421 . . . . 0.0 109.377 174.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.54 -54.94 6.82 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.539 1.135 . . . . 0.0 112.262 -171.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.8 m -83.22 -69.49 0.63 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.015 173.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.51 ' CE1' HD21 ' A' ' 32' ' ' LEU . 54.4 m-70 -54.33 164.95 0.6 Allowed 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -167.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 31' ' ' ASN 0.32 2.4 t -131.65 -167.45 1.87 Allowed 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 113.126 -1.852 . . . . 0.0 112.762 147.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.0 p -136.44 -34.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 125.797 1.639 . . . . 0.0 110.579 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -129.35 175.55 8.66 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.91 1.684 . . . . 0.0 109.848 175.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.4 mttt 70.09 114.74 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 118.295 2.702 . . . . 0.0 118.295 139.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.0 -62.06 2.12 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 123.79 0.71 . . . . 0.0 112.25 168.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 39.8 45.81 2.9 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.373 1.463 . . . . 0.0 112.301 -165.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -60.69 -36.61 84.16 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.142 1.895 . . . . 0.0 112.957 -167.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.37 -178.65 4.65 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.235 -142.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HB3' HG13 ' A' ' 28' ' ' VAL . 46.9 mttp 27.05 -86.44 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 117.64 2.459 . . . . 0.0 117.64 149.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.485 ' HB ' ' H ' ' A' ' 29' ' ' GLY 0.276 0.1 OUTLIER -101.15 -124.04 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 119.113 -1.035 . . . . 0.0 112.4 -115.639 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.485 ' H ' ' HB ' ' A' ' 28' ' ' VAL . . . -88.13 119.03 5.22 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 103.869 -3.692 . . . . 0.0 103.869 165.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -75.43 165.38 30.8 Favored 'Trans proline' 0 N--CA 1.431 -2.187 0 CA-C-N 119.885 1.843 . . . . 0.0 109.277 171.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 19' ' ' THR . 2.5 p30 -71.79 147.7 46.99 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-N 112.639 -2.073 . . . . 0.0 110.814 -165.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.51 HD21 ' CE1' ' A' ' 18' ' ' HIS . 35.2 mt -81.95 -36.52 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 113.223 -1.808 . . . . 0.0 112.171 -178.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.4 t60 61.59 -19.63 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 165.89 110.38 0.23 Allowed Glycine 0 CA--C 1.524 0.607 0 CA-C-N 120.875 1.67 . . . . 0.0 111.966 -172.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.495 HD11 HD13 ' A' ' 32' ' ' LEU . 3.6 mt -111.43 35.93 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 125.729 1.612 . . . . 0.0 110.488 -172.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -135.85 80.6 1.84 Allowed 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.341 1.056 . . . . 0.0 109.0 -169.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.426 ' H ' ' HB2' ' A' ' 60' ' ' ASP . . . 87.71 38.01 7.73 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.199 -1.16 . . . . 0.0 110.199 -166.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -94.17 156.24 16.66 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 167.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -124.26 113.98 18.98 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 171.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 p 56.01 -178.17 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 123.701 1.715 . . . . 0.0 114.314 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.79 91.13 0.03 OUTLIER Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 106.684 -2.566 . . . . 0.0 106.684 160.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -131.52 109.48 10.29 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 122.625 1.202 . . . . 0.0 112.792 174.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.24 -169.33 3.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.519 167.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -63.79 9.43 0.06 Allowed 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 162.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -55.17 163.75 4.13 Favored Glycine 0 CA--C 1.534 1.263 0 O-C-N 120.63 -1.294 . . . . 0.0 110.418 151.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.674 ' O ' HG23 ' A' ' 49' ' ' THR . 0.1 OUTLIER -108.65 -9.71 15.26 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 175.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 49' ' ' THR . 1.4 t -99.47 -20.27 16.52 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 123.909 0.884 . . . . 0.0 111.908 -121.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -58.64 7.72 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 128.969 2.908 . . . . 0.0 113.542 167.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 46' ' ' TYR . 33.1 p -37.95 10.7 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.961 1 C-N-CA 131.717 4.007 . . . . 0.0 120.509 173.522 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.452 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -178.98 44.49 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 122.219 2.281 . . . . 0.0 114.86 174.463 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 50' ' ' ASP . . . 179.74 -96.5 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.146 -1.596 . . . . 0.0 113.83 168.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -39.12 -47.27 1.55 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 129.811 3.244 . . . . 0.0 115.032 -167.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 tt -61.33 -39.14 81.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -67.91 -39.09 83.62 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.242 1.017 . . . . 0.0 109.857 177.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -64.99 -39.53 93.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.804 0.842 . . . . 0.0 110.73 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 66.89 45.07 1.92 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.115 1.766 . . . . 0.0 112.091 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.768 HG22 HG22 ' A' ' 75' ' ' ILE . 1.7 p -66.19 107.29 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -169.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.617 HD22 ' N ' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -59.6 130.05 44.93 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.189 -0.945 . . . . 0.0 113.41 -176.625 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.617 ' N ' HD22 ' A' ' 58' ' ' LEU . 33.2 m95 -119.25 87.85 2.82 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.481 2.312 . . . . 0.0 110.297 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HB2' ' H ' ' A' ' 37' ' ' GLY . 34.7 t0 -176.57 82.23 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.62 2.368 . . . . 0.0 110.317 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -169.81 -153.33 0.1 Allowed 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 117.206 2.299 . . . . 0.0 117.206 -143.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -149.03 -56.96 0.2 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 129.031 2.933 . . . . 0.0 106.541 -155.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -54.5 -40.53 68.62 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.487 -0.758 . . . . 0.0 111.353 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.3 ptm -55.05 -36.45 65.57 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.507 1.123 . . . . 0.0 113.005 171.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -53.55 56.93 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -59.48 -54.13 50.18 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 171.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.422 ' HB3' ' H ' ' A' ' 74' ' ' TYR . 38.4 m-85 -60.99 -40.18 92.49 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -173.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.423 HD22 HMB2 ' A' ' 118' ' ' HEC . 66.9 mt -76.39 -39.2 54.36 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 118.47 -0.776 . . . . 0.0 111.407 172.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.3 m -51.28 -48.73 62.17 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.01 1.277 . . . . 0.0 110.212 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -77.35 153.77 81.87 Favored Pre-proline 0 N--CA 1.449 -0.508 0 CA-C-O 121.126 0.488 . . . . 0.0 111.312 173.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -69.18 71.51 1.22 Allowed 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 123.683 2.922 . . . . 0.0 109.431 169.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.64 -40.14 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.132 0.973 . . . . 0.0 111.362 -174.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . 0.264 0.0 OUTLIER 46.28 68.55 0.59 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.825 1.65 . . . . 0.0 114.66 172.459 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.422 ' H ' ' HB3' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -169.05 90.43 0.22 Allowed 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -177.661 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.768 HG22 HG22 ' A' ' 57' ' ' VAL 0.306 0.5 OUTLIER -43.74 -35.52 1.79 Allowed Pre-proline 0 CA--C 1.552 1.021 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 157.929 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.414 ' HD2' ' C ' ' A' ' 74' ' ' TYR . 68.9 Cg_endo -81.84 14.4 2.21 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 N-CA-C 117.483 2.07 . . . . 0.0 117.483 -173.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.33 -7.94 5.34 Favored Glycine 0 CA--C 1.54 1.612 0 N-CA-C 119.622 2.609 . . . . 0.0 119.622 159.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.8 m -149.94 148.35 28.99 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 120.062 1.931 . . . . 0.0 115.087 -138.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 67.19 -164.68 0.22 Allowed 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 151.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.5 ttp -172.55 -61.71 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -129.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.68 29.12 0.06 Allowed 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 116.814 2.154 . . . . 0.0 116.814 -157.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.448 ' CD1' HMC2 ' A' ' 118' ' ' HEC . 2.1 t80 -56.64 -27.14 57.85 Favored 'General case' 0 CA--C 1.554 1.115 0 O-C-N 120.928 -1.108 . . . . 0.0 110.001 148.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 114.53 31.64 2.12 Favored Glycine 0 N--CA 1.472 1.053 0 C-N-CA 115.701 -3.142 . . . . 0.0 119.583 118.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.04 27.11 4.98 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-N 118.445 1.123 . . . . 0.0 110.641 168.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.619 HD12 ' H ' ' A' ' 86' ' ' LYS . 13.6 tp -62.58 175.69 0.76 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 122.428 1.109 . . . . 0.0 108.549 120.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.619 ' H ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -155.54 -43.92 0.08 Allowed 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -144.552 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -123.41 163.58 20.56 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 118.807 -1.157 . . . . 0.0 113.714 -121.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 35.77 -100.24 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 149.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.89 38.38 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 118.93 -1.108 . . . . 0.0 112.236 -138.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.574 ' OD2' HD21 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -79.18 -46.75 17.3 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 123.224 1.488 . . . . 0.0 110.925 176.595 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.531 ' HD2' ' C ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -45.09 -44.81 10.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.416 -1.265 . . . . 0.0 112.585 172.075 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -51.09 -59.02 4.62 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.027 0.83 . . . . 0.0 111.361 -174.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.55 -46.94 83.29 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.498 1.519 . . . . 0.0 112.821 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.3 -58.83 5.72 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.236 -0.915 . . . . 0.0 112.652 175.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.3 mp -57.14 -38.79 62.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 123.843 0.857 . . . . 0.0 110.393 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.24 -51.86 55.89 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.843 1.201 . . . . 0.0 112.354 168.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -49.11 78.43 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.164 0.985 . . . . 0.0 111.055 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 77.5 mt -57.55 -43.82 84.73 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-O 118.69 -0.671 . . . . 0.0 111.306 173.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -57.41 8.82 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 120.085 1.311 . . . . 0.0 110.67 172.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.63 -39.12 70.4 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 176.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.41 -43.47 66.74 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.2 m -88.73 -58.21 2.63 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.884 2.074 . . . . 0.0 113.221 -171.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.252 1.208 0 C-N-CA 125.926 1.691 . . . . 0.0 111.767 -175.725 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' HEC . . . . . 0.743 HMB1 ' CBB' ' A' ' 118' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_