data_2kad_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 2kad _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.512 2.646 0 CA-C-O 122.334 1.064 . . . . 0.0 113.111 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.2 m -66.69 -25.73 66.68 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 119.132 -2.23 . . . . 0.0 113.943 -174.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -80.96 -53.18 0.81 Allowed Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 124.898 1.279 . . . . 0.0 111.27 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.93 -32.11 94.67 Favored 'Trans proline' 0 C--N 1.342 0.221 0 CA-C-N 124.368 2.596 . . . . 0.0 117.652 175.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.24 -38.72 92.05 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 119.289 0.949 . . . . 0.0 112.534 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.7 t -63.76 -39.97 87.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 O-C-N 120.438 -1.413 . . . . 0.0 112.745 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.2 t -64.88 -41.63 92.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 C-N-CA 125.352 1.461 . . . . 0.0 112.243 172.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.19 84.71 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 1.37 ' O ' ' CD1' ' C' ' 35' ' ' ILE . . . -68.91 -35.96 77.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.514 1.126 . . . . 0.0 112.414 175.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.5 m -65.36 -40.36 93.49 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.109 0.964 . . . . 0.0 113.442 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.06 -40.65 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.603 1.161 . . . . 0.0 112.021 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 mt -62.18 -42.4 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 114.603 -1.181 . . . . 0.0 112.796 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.772 ' CA ' HD13 ' C' ' 38' ' ' LEU . . . -59.26 -39.12 94.2 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 121.087 -1.008 . . . . 0.0 115.031 175.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 1.378 ' CD1' ' O ' ' D' ' 30' ' ' ALA . 26.7 mm -67.37 -43.43 87.78 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 121.705 -0.879 . . . . 0.0 112.691 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.17 -42.1 97.96 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 120.543 -1.348 . . . . 0.0 113.097 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 1.358 ' CD2' ' CZ3' ' C' ' 41' ' ' TRP . 23.8 t-160 -62.38 -42.33 99.33 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 1.108 HD21 ' ND1' ' D' ' 37' ' ' HIS . 5.0 mt -65.67 -40.06 92.01 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.794 -1.191 . . . . 0.0 113.838 176.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.93 -46.94 87.54 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 C-N-CA 124.803 1.241 . . . . 0.0 112.295 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.38 -46.72 83.1 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 1.277 ' CZ3' ' CD2' ' D' ' 37' ' ' HIS . 90.2 t90 -58.8 -47.39 84.94 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 176.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mm -57.93 -42.31 82.14 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 C-N-CA 125.463 1.505 . . . . 0.0 112.352 174.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.81 -38.86 92.37 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.174 -1.579 . . . . 0.0 113.376 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -65.67 -40.27 92.24 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.974 -1.079 . . . . 0.0 113.905 173.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.38 -34.02 76.42 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 123.385 0.674 . . . . 0.0 112.679 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 N--CA 1.447 -0.575 0 C-N-CA 123.979 0.911 . . . . 0.0 112.43 176.425 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.513 2.718 0 CA-C-O 122.403 1.097 . . . . 0.0 113.067 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 71.2 m -66.67 -25.75 66.71 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 119.116 -2.24 . . . . 0.0 113.924 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.98 -53.36 0.79 Allowed Pre-proline 0 CA--C 1.56 1.361 0 C-N-CA 124.907 1.283 . . . . 0.0 111.15 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -59.74 -32.3 95.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 CA-C-N 124.417 2.613 . . . . 0.0 117.654 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.19 -38.54 91.4 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.311 0.959 . . . . 0.0 112.631 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 13.9 t -63.87 -39.93 87.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 120.476 -1.39 . . . . 0.0 112.671 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 10.1 t -65.04 -41.41 91.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 C-N-CA 125.361 1.464 . . . . 0.0 112.222 172.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.25 85.24 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 176.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 1.342 ' O ' ' CD1' ' D' ' 35' ' ' ILE . . . -69.04 -35.79 77.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.361 1.065 . . . . 0.0 112.469 175.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 21.4 m -65.3 -40.5 93.89 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 124.102 0.961 . . . . 0.0 113.418 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.04 -40.58 87.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 C-N-CA 124.654 1.182 . . . . 0.0 112.043 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 17.2 mt -62.31 -42.28 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.767 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.766 ' CA ' HD13 ' D' ' 38' ' ' LEU . . . -59.22 -39.11 94.14 Favored Glycine 0 C--N 1.35 1.315 0 O-C-N 121.047 -1.033 . . . . 0.0 115.065 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 1.33 ' CD1' ' O ' ' C' ' 30' ' ' ALA . 26.4 mm -67.42 -43.35 87.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 O-C-N 121.738 -0.86 . . . . 0.0 112.669 175.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.23 -42.05 97.94 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.522 -1.361 . . . . 0.0 113.064 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 1.254 ' CD2' ' CZ3' ' D' ' 41' ' ' TRP . 23.8 t-160 -62.65 -42.18 99.46 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 175.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 1.032 HD21 ' ND1' ' C' ' 37' ' ' HIS . 5.0 mt -65.68 -40.14 92.06 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 120.864 -1.148 . . . . 0.0 113.722 176.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 80.2 mt -57.93 -46.97 87.51 Favored 'Isoleucine or valine' 0 C--N 1.349 0.545 0 C-N-CA 124.933 1.293 . . . . 0.0 112.227 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.42 -46.63 83.33 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 1.345 ' CZ3' ' CD2' ' C' ' 37' ' ' HIS . 89.9 t90 -58.76 -47.49 84.51 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.155 0.982 . . . . 0.0 113.606 176.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -58.09 -42.11 82.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 125.392 1.477 . . . . 0.0 112.335 174.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.9 -38.78 92.3 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.299 -1.501 . . . . 0.0 113.412 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -65.71 -40.27 92.09 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.934 -1.104 . . . . 0.0 113.877 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -67.38 -33.95 76.27 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 123.407 0.683 . . . . 0.0 112.67 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--N 1.349 0.564 0 C-N-CA 124.0 0.92 . . . . 0.0 112.366 176.442 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.513 2.689 0 CA-C-O 122.456 1.122 . . . . 0.0 113.045 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 71.5 m -66.65 -25.8 66.75 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 119.027 -2.296 . . . . 0.0 113.932 -174.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.9 -53.24 0.82 Allowed Pre-proline 0 CA--C 1.561 1.402 0 C-N-CA 125.007 1.323 . . . . 0.0 111.258 174.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -59.93 -32.15 94.72 Favored 'Trans proline' 0 C--N 1.342 0.222 0 CA-C-N 124.274 2.562 . . . . 0.0 117.613 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.3 -38.55 91.43 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 119.358 0.981 . . . . 0.0 112.537 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 t -63.74 -40.19 88.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 O-C-N 120.457 -1.402 . . . . 0.0 112.609 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 10.1 t -64.88 -41.5 92.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 125.41 1.484 . . . . 0.0 112.254 172.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.95 -38.17 84.9 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 176.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 1.33 ' O ' ' CD1' ' B' ' 35' ' ' ILE . . . -69.01 -35.84 77.12 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.52 1.128 . . . . 0.0 112.422 175.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 21.9 m -65.44 -40.38 93.21 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.098 0.959 . . . . 0.0 113.383 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.07 -40.61 88.05 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 C-N-CA 124.618 1.167 . . . . 0.0 112.058 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 mt -62.28 -42.33 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-N 114.611 -1.177 . . . . 0.0 112.753 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . 0.766 ' CA ' HD13 ' B' ' 38' ' ' LEU . . . -59.24 -39.13 94.19 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 121.091 -1.006 . . . . 0.0 115.032 175.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . 1.37 ' CD1' ' O ' ' A' ' 30' ' ' ALA . 26.1 mm -67.28 -43.45 88.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 O-C-N 121.649 -0.912 . . . . 0.0 112.65 175.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.25 -42.01 97.88 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 120.497 -1.377 . . . . 0.0 113.152 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 1.345 ' CD2' ' CZ3' ' B' ' 41' ' ' TRP . 23.8 t-160 -62.48 -42.29 99.38 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 175.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 1.054 HD21 ' ND1' ' A' ' 37' ' ' HIS . 5.0 mt -65.68 -40.15 92.05 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 120.903 -1.123 . . . . 0.0 113.71 176.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 80.5 mt -57.96 -46.85 87.63 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 C-N-CA 124.851 1.261 . . . . 0.0 112.274 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.42 -46.62 83.31 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 1.358 ' CZ3' ' CD2' ' A' ' 37' ' ' HIS . 90.1 t90 -58.85 -47.46 84.81 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 176.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -58.04 -42.21 82.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 C-N-CA 125.504 1.521 . . . . 0.0 112.313 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 40.0 tp -62.81 -38.88 92.44 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.292 -1.505 . . . . 0.0 113.465 174.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -65.61 -40.33 92.51 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.965 -1.084 . . . . 0.0 113.845 173.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -67.31 -34.05 76.56 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 123.374 0.669 . . . . 0.0 112.721 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--N 1.35 0.629 0 C-N-CA 123.911 0.885 . . . . 0.0 112.434 176.452 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.512 2.672 0 CA-C-O 122.34 1.067 . . . . 0.0 113.193 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 71.1 m -66.71 -25.75 66.68 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 119.014 -2.304 . . . . 0.0 113.961 -174.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -81.06 -53.28 0.79 Allowed Pre-proline 0 CA--C 1.561 1.398 0 C-N-CA 124.866 1.266 . . . . 0.0 111.125 174.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -59.8 -32.23 95.17 Favored 'Trans proline' 0 C--N 1.34 0.121 0 CA-C-N 124.402 2.608 . . . . 0.0 117.597 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.23 -38.56 91.48 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 119.32 0.963 . . . . 0.0 112.639 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 t -63.8 -40.04 87.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 O-C-N 120.474 -1.391 . . . . 0.0 112.724 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 10.7 t -65.02 -41.46 92.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 C-N-CA 125.261 1.425 . . . . 0.0 112.22 172.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.82 -38.34 85.08 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 176.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 1.378 ' O ' ' CD1' ' A' ' 35' ' ' ILE . . . -68.94 -35.85 77.26 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 124.377 1.071 . . . . 0.0 112.449 175.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 21.8 m -65.37 -40.44 93.55 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.138 0.975 . . . . 0.0 113.372 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.05 -40.58 87.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 C-N-CA 124.597 1.159 . . . . 0.0 112.078 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 17.8 mt -62.24 -42.28 94.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.831 176.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . 0.753 ' CA ' HD13 ' A' ' 38' ' ' LEU . . . -59.27 -39.15 94.26 Favored Glycine 0 C--N 1.35 1.342 0 O-C-N 121.089 -1.007 . . . . 0.0 114.968 175.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . 1.342 ' CD1' ' O ' ' B' ' 30' ' ' ALA . 26.7 mm -67.35 -43.42 87.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 O-C-N 121.871 -0.782 . . . . 0.0 112.709 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.19 -42.08 97.94 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 120.542 -1.349 . . . . 0.0 113.133 175.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 1.277 ' CD2' ' CZ3' ' A' ' 41' ' ' TRP . 23.8 t-160 -62.5 -42.15 99.31 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 175.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 1.103 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.1 mt -65.73 -40.12 91.82 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.943 -1.098 . . . . 0.0 113.705 176.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 80.2 mt -57.87 -47.03 87.23 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 124.84 1.256 . . . . 0.0 112.234 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.4 -46.49 83.41 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 1.254 ' CZ3' ' CD2' ' B' ' 37' ' ' HIS . 90.1 t90 -58.78 -47.45 84.67 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 176.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 27.2 mm -58.26 -42.04 82.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 C-N-CA 125.433 1.493 . . . . 0.0 112.31 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.79 -38.85 92.29 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.205 -1.559 . . . . 0.0 113.463 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -65.65 -40.23 92.26 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 173.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -67.44 -33.93 76.16 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 123.404 0.682 . . . . 0.0 112.693 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--N 1.35 0.593 0 C-N-CA 123.991 0.917 . . . . 0.0 112.341 176.408 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' 308 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.512 2.646 0 CA-C-O 122.334 1.064 . . . . 0.0 113.111 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.2 m -66.69 -25.73 66.68 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 119.132 -2.23 . . . . 0.0 113.943 -174.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -80.96 -53.18 0.81 Allowed Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 124.898 1.279 . . . . 0.0 111.27 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.93 -32.11 94.67 Favored 'Trans proline' 0 C--N 1.342 0.221 0 CA-C-N 124.368 2.596 . . . . 0.0 117.652 175.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.24 -38.72 92.05 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 119.289 0.949 . . . . 0.0 112.534 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.7 t -63.76 -39.97 87.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 O-C-N 120.438 -1.413 . . . . 0.0 112.745 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.2 t -64.88 -41.63 92.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 C-N-CA 125.352 1.461 . . . . 0.0 112.243 172.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.19 84.71 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.37 ' O ' ' CD1' ' C' ' 35' ' ' ILE . . . -68.91 -35.96 77.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.514 1.126 . . . . 0.0 112.414 175.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.5 m -65.36 -40.36 93.49 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.109 0.964 . . . . 0.0 113.442 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.06 -40.65 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.603 1.161 . . . . 0.0 112.021 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 mt -62.18 -42.4 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 114.603 -1.181 . . . . 0.0 112.796 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.771 ' CA ' HD13 ' C' ' 38' ' ' LEU . . . -59.26 -39.12 94.2 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 121.087 -1.008 . . . . 0.0 115.031 175.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 1.378 ' CD1' ' O ' ' D' ' 30' ' ' ALA . 26.7 mm -67.37 -43.43 87.78 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 121.705 -0.879 . . . . 0.0 112.691 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.17 -42.1 97.96 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 120.543 -1.348 . . . . 0.0 113.097 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 1.358 ' CD2' ' CZ3' ' C' ' 41' ' ' TRP . 23.8 t-160 -62.38 -42.33 99.33 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.108 HD23 ' ND1' ' D' ' 37' ' ' HIS . 5.0 mt -65.67 -40.06 92.01 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.794 -1.191 . . . . 0.0 113.838 176.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.93 -46.94 87.54 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 C-N-CA 124.803 1.241 . . . . 0.0 112.295 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.38 -46.72 83.1 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 1.277 ' CZ3' ' CD2' ' D' ' 37' ' ' HIS . 90.2 t90 -58.8 -47.39 84.94 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 176.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mm -57.93 -42.31 82.14 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 C-N-CA 125.463 1.505 . . . . 0.0 112.352 174.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.81 -38.86 92.37 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.174 -1.579 . . . . 0.0 113.376 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -65.67 -40.27 92.24 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.974 -1.079 . . . . 0.0 113.905 173.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.38 -34.02 76.42 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 123.385 0.674 . . . . 0.0 112.679 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 N--CA 1.447 -0.575 0 C-N-CA 123.979 0.911 . . . . 0.0 112.43 176.425 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.513 2.718 0 CA-C-O 122.403 1.097 . . . . 0.0 113.067 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 71.2 m -66.67 -25.75 66.71 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 119.116 -2.24 . . . . 0.0 113.924 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.98 -53.36 0.79 Allowed Pre-proline 0 CA--C 1.56 1.361 0 C-N-CA 124.907 1.283 . . . . 0.0 111.15 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -59.74 -32.3 95.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 CA-C-N 124.417 2.613 . . . . 0.0 117.654 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.19 -38.54 91.4 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.311 0.959 . . . . 0.0 112.631 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 13.9 t -63.87 -39.93 87.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 120.476 -1.39 . . . . 0.0 112.671 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 10.1 t -65.04 -41.41 91.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 C-N-CA 125.361 1.464 . . . . 0.0 112.222 172.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.25 85.24 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 176.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 1.342 ' O ' ' CD1' ' D' ' 35' ' ' ILE . . . -69.04 -35.79 77.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.361 1.065 . . . . 0.0 112.469 175.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 21.4 m -65.3 -40.5 93.89 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 124.102 0.961 . . . . 0.0 113.418 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.04 -40.58 87.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 C-N-CA 124.654 1.182 . . . . 0.0 112.043 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 17.2 mt -62.31 -42.28 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.767 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.766 ' CA ' HD13 ' D' ' 38' ' ' LEU . . . -59.22 -39.11 94.14 Favored Glycine 0 C--N 1.35 1.315 0 O-C-N 121.047 -1.033 . . . . 0.0 115.065 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 1.33 ' CD1' ' O ' ' C' ' 30' ' ' ALA . 26.4 mm -67.42 -43.35 87.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 O-C-N 121.738 -0.86 . . . . 0.0 112.669 175.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.23 -42.05 97.94 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.522 -1.361 . . . . 0.0 113.064 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 1.254 ' CD2' ' CZ3' ' D' ' 41' ' ' TRP . 23.8 t-160 -62.65 -42.18 99.46 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 175.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 1.032 HD23 ' ND1' ' C' ' 37' ' ' HIS . 5.0 mt -65.68 -40.14 92.06 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 120.864 -1.148 . . . . 0.0 113.722 176.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 80.2 mt -57.93 -46.97 87.51 Favored 'Isoleucine or valine' 0 C--N 1.349 0.545 0 C-N-CA 124.933 1.293 . . . . 0.0 112.227 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.42 -46.63 83.33 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 1.345 ' CZ3' ' CD2' ' C' ' 37' ' ' HIS . 89.9 t90 -58.76 -47.49 84.51 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.155 0.982 . . . . 0.0 113.606 176.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -58.09 -42.11 82.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 125.392 1.477 . . . . 0.0 112.335 174.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.9 -38.78 92.3 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.299 -1.501 . . . . 0.0 113.412 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -65.71 -40.27 92.09 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.934 -1.104 . . . . 0.0 113.877 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -67.38 -33.95 76.27 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 123.407 0.683 . . . . 0.0 112.67 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--N 1.349 0.564 0 C-N-CA 124.0 0.92 . . . . 0.0 112.366 176.442 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.513 2.689 0 CA-C-O 122.456 1.122 . . . . 0.0 113.045 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 71.5 m -66.65 -25.8 66.75 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 119.027 -2.296 . . . . 0.0 113.932 -174.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.9 -53.24 0.82 Allowed Pre-proline 0 CA--C 1.561 1.402 0 C-N-CA 125.007 1.323 . . . . 0.0 111.258 174.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -59.93 -32.15 94.72 Favored 'Trans proline' 0 C--N 1.342 0.222 0 CA-C-N 124.274 2.562 . . . . 0.0 117.613 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.3 -38.55 91.43 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 119.358 0.981 . . . . 0.0 112.537 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 t -63.74 -40.19 88.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 O-C-N 120.457 -1.402 . . . . 0.0 112.609 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 10.1 t -64.88 -41.5 92.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 125.41 1.484 . . . . 0.0 112.254 172.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.95 -38.17 84.9 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 176.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 1.33 ' O ' ' CD1' ' B' ' 35' ' ' ILE . . . -69.01 -35.84 77.12 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.52 1.128 . . . . 0.0 112.422 175.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 21.9 m -65.44 -40.38 93.21 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.098 0.959 . . . . 0.0 113.383 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.07 -40.61 88.05 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 C-N-CA 124.618 1.167 . . . . 0.0 112.058 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 mt -62.28 -42.33 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-N 114.611 -1.177 . . . . 0.0 112.753 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' GLY . . . . . 0.765 ' CA ' HD13 ' B' ' 38' ' ' LEU . . . -59.24 -39.13 94.19 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 121.091 -1.006 . . . . 0.0 115.032 175.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ILE . . . . . 1.37 ' CD1' ' O ' ' A' ' 30' ' ' ALA . 26.1 mm -67.28 -43.45 88.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 O-C-N 121.649 -0.912 . . . . 0.0 112.65 175.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.25 -42.01 97.88 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 120.497 -1.377 . . . . 0.0 113.152 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 1.345 ' CD2' ' CZ3' ' B' ' 41' ' ' TRP . 23.8 t-160 -62.48 -42.29 99.38 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 175.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 1.054 HD23 ' ND1' ' A' ' 37' ' ' HIS . 5.0 mt -65.68 -40.15 92.05 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 120.903 -1.123 . . . . 0.0 113.71 176.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 80.5 mt -57.96 -46.85 87.63 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 C-N-CA 124.851 1.261 . . . . 0.0 112.274 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.42 -46.62 83.31 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 1.358 ' CZ3' ' CD2' ' A' ' 37' ' ' HIS . 90.1 t90 -58.85 -47.46 84.81 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 176.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -58.04 -42.21 82.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 C-N-CA 125.504 1.521 . . . . 0.0 112.313 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 40.0 tp -62.81 -38.88 92.44 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.292 -1.505 . . . . 0.0 113.465 174.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -65.61 -40.33 92.51 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.965 -1.084 . . . . 0.0 113.845 173.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -67.31 -34.05 76.56 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 123.374 0.669 . . . . 0.0 112.721 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--N 1.35 0.629 0 C-N-CA 123.911 0.885 . . . . 0.0 112.434 176.452 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.512 2.672 0 CA-C-O 122.34 1.067 . . . . 0.0 113.193 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 71.1 m -66.71 -25.75 66.68 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 119.014 -2.304 . . . . 0.0 113.961 -174.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -81.06 -53.28 0.79 Allowed Pre-proline 0 CA--C 1.561 1.398 0 C-N-CA 124.866 1.266 . . . . 0.0 111.125 174.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -59.8 -32.23 95.17 Favored 'Trans proline' 0 C--N 1.34 0.121 0 CA-C-N 124.402 2.608 . . . . 0.0 117.597 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.23 -38.56 91.48 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 119.32 0.963 . . . . 0.0 112.639 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 t -63.8 -40.04 87.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 O-C-N 120.474 -1.391 . . . . 0.0 112.724 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 10.7 t -65.02 -41.46 92.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 C-N-CA 125.261 1.425 . . . . 0.0 112.22 172.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.82 -38.34 85.08 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 176.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 1.378 ' O ' ' CD1' ' A' ' 35' ' ' ILE . . . -68.94 -35.85 77.26 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 124.377 1.071 . . . . 0.0 112.449 175.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 21.8 m -65.37 -40.44 93.55 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.138 0.975 . . . . 0.0 113.372 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.05 -40.58 87.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 C-N-CA 124.597 1.159 . . . . 0.0 112.078 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 17.8 mt -62.24 -42.28 94.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.831 176.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' GLY . . . . . 0.753 ' CA ' HD13 ' A' ' 38' ' ' LEU . . . -59.27 -39.15 94.26 Favored Glycine 0 C--N 1.35 1.342 0 O-C-N 121.089 -1.007 . . . . 0.0 114.968 175.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 35' ' ' ILE . . . . . 1.342 ' CD1' ' O ' ' B' ' 30' ' ' ALA . 26.7 mm -67.35 -43.42 87.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 O-C-N 121.871 -0.782 . . . . 0.0 112.709 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.19 -42.08 97.94 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 120.542 -1.349 . . . . 0.0 113.133 175.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 1.277 ' CD2' ' CZ3' ' A' ' 41' ' ' TRP . 23.8 t-160 -62.5 -42.15 99.31 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 175.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 1.104 HD23 ' ND1' ' B' ' 37' ' ' HIS . 5.1 mt -65.73 -40.12 91.82 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.943 -1.098 . . . . 0.0 113.705 176.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 80.2 mt -57.87 -47.03 87.23 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 124.84 1.256 . . . . 0.0 112.234 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.4 -46.49 83.41 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 1.254 ' CZ3' ' CD2' ' B' ' 37' ' ' HIS . 90.1 t90 -58.78 -47.45 84.67 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 176.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 27.2 mm -58.26 -42.04 82.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 C-N-CA 125.433 1.493 . . . . 0.0 112.31 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.79 -38.85 92.29 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.205 -1.559 . . . . 0.0 113.463 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -65.65 -40.23 92.26 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 173.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -67.44 -33.93 76.16 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 123.404 0.682 . . . . 0.0 112.693 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--N 1.35 0.593 0 C-N-CA 123.991 0.917 . . . . 0.0 112.341 176.408 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' 308 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.512 2.646 0 CA-C-O 122.334 1.064 . . . . 0.0 113.111 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.2 m -66.69 -25.73 66.68 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 119.132 -2.23 . . . . 0.0 113.943 -174.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -80.96 -53.18 0.81 Allowed Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 124.898 1.279 . . . . 0.0 111.27 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.93 -32.11 94.67 Favored 'Trans proline' 0 C--N 1.342 0.221 0 CA-C-N 124.368 2.596 . . . . 0.0 117.652 175.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.24 -38.72 92.05 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 119.289 0.949 . . . . 0.0 112.534 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.7 t -63.76 -39.97 87.33 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 O-C-N 120.438 -1.413 . . . . 0.0 112.745 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.2 t -64.88 -41.63 92.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 C-N-CA 125.352 1.461 . . . . 0.0 112.243 172.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.19 84.71 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.37 ' O ' ' CD1' ' C' ' 35' ' ' ILE . . . -68.91 -35.96 77.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.514 1.126 . . . . 0.0 112.414 175.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.5 m -65.36 -40.36 93.49 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.109 0.964 . . . . 0.0 113.442 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.06 -40.65 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.603 1.161 . . . . 0.0 112.021 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 mt -62.18 -42.4 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 114.603 -1.181 . . . . 0.0 112.796 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.771 ' CA ' HD13 ' C' ' 38' ' ' LEU . . . -59.26 -39.12 94.2 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 121.087 -1.008 . . . . 0.0 115.031 175.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 1.378 ' CD1' ' O ' ' D' ' 30' ' ' ALA . 26.7 mm -67.37 -43.43 87.78 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 121.705 -0.879 . . . . 0.0 112.691 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.17 -42.1 97.96 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 120.543 -1.348 . . . . 0.0 113.097 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 1.358 ' CD2' ' CZ3' ' C' ' 41' ' ' TRP . 23.8 t-160 -62.38 -42.33 99.33 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.108 HD23 ' ND1' ' D' ' 37' ' ' HIS . 5.0 mt -65.67 -40.06 92.01 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.794 -1.191 . . . . 0.0 113.838 176.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.93 -46.94 87.54 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 C-N-CA 124.803 1.241 . . . . 0.0 112.295 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.38 -46.72 83.1 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 1.277 ' CZ3' ' CD2' ' D' ' 37' ' ' HIS . 90.2 t90 -58.8 -47.39 84.94 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 176.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.5 mm -57.93 -42.31 82.14 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 C-N-CA 125.463 1.505 . . . . 0.0 112.352 174.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.81 -38.86 92.37 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.174 -1.579 . . . . 0.0 113.376 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -65.67 -40.27 92.24 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.974 -1.079 . . . . 0.0 113.905 173.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.38 -34.02 76.42 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 123.385 0.674 . . . . 0.0 112.679 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 N--CA 1.447 -0.575 0 C-N-CA 123.979 0.911 . . . . 0.0 112.43 176.425 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.513 2.718 0 CA-C-O 122.403 1.097 . . . . 0.0 113.067 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 71.2 m -66.67 -25.75 66.71 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 119.116 -2.24 . . . . 0.0 113.924 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.98 -53.36 0.79 Allowed Pre-proline 0 CA--C 1.56 1.361 0 C-N-CA 124.907 1.283 . . . . 0.0 111.15 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -59.74 -32.3 95.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 CA-C-N 124.417 2.613 . . . . 0.0 117.654 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.19 -38.54 91.4 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.311 0.959 . . . . 0.0 112.631 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 13.9 t -63.87 -39.93 87.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 120.476 -1.39 . . . . 0.0 112.671 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 10.1 t -65.04 -41.41 91.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 C-N-CA 125.361 1.464 . . . . 0.0 112.222 172.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.25 85.24 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 176.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 1.342 ' O ' ' CD1' ' D' ' 35' ' ' ILE . . . -69.04 -35.79 77.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.361 1.065 . . . . 0.0 112.469 175.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 21.4 m -65.3 -40.5 93.89 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 124.102 0.961 . . . . 0.0 113.418 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.04 -40.58 87.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 C-N-CA 124.654 1.182 . . . . 0.0 112.043 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 17.2 mt -62.31 -42.28 94.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.767 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.766 ' CA ' HD13 ' D' ' 38' ' ' LEU . . . -59.22 -39.11 94.14 Favored Glycine 0 C--N 1.35 1.315 0 O-C-N 121.047 -1.033 . . . . 0.0 115.065 175.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 1.33 ' CD1' ' O ' ' C' ' 30' ' ' ALA . 26.4 mm -67.42 -43.35 87.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 O-C-N 121.738 -0.86 . . . . 0.0 112.669 175.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.23 -42.05 97.94 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.522 -1.361 . . . . 0.0 113.064 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 1.254 ' CD2' ' CZ3' ' D' ' 41' ' ' TRP . 23.8 t-160 -62.65 -42.18 99.46 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 175.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 1.032 HD23 ' ND1' ' C' ' 37' ' ' HIS . 5.0 mt -65.68 -40.14 92.06 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 120.864 -1.148 . . . . 0.0 113.722 176.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 80.2 mt -57.93 -46.97 87.51 Favored 'Isoleucine or valine' 0 C--N 1.349 0.545 0 C-N-CA 124.933 1.293 . . . . 0.0 112.227 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.42 -46.63 83.33 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 1.345 ' CZ3' ' CD2' ' C' ' 37' ' ' HIS . 89.9 t90 -58.76 -47.49 84.51 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.155 0.982 . . . . 0.0 113.606 176.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -58.09 -42.11 82.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 125.392 1.477 . . . . 0.0 112.335 174.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.9 -38.78 92.3 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.299 -1.501 . . . . 0.0 113.412 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -65.71 -40.27 92.09 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.934 -1.104 . . . . 0.0 113.877 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -67.38 -33.95 76.27 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 123.407 0.683 . . . . 0.0 112.67 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--N 1.349 0.564 0 C-N-CA 124.0 0.92 . . . . 0.0 112.366 176.442 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.513 2.689 0 CA-C-O 122.456 1.122 . . . . 0.0 113.045 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 71.5 m -66.65 -25.8 66.75 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 119.027 -2.296 . . . . 0.0 113.932 -174.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.9 -53.24 0.82 Allowed Pre-proline 0 CA--C 1.561 1.402 0 C-N-CA 125.007 1.323 . . . . 0.0 111.258 174.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -59.93 -32.15 94.72 Favored 'Trans proline' 0 C--N 1.342 0.222 0 CA-C-N 124.274 2.562 . . . . 0.0 117.613 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.3 -38.55 91.43 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 119.358 0.981 . . . . 0.0 112.537 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 t -63.74 -40.19 88.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 O-C-N 120.457 -1.402 . . . . 0.0 112.609 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 10.1 t -64.88 -41.5 92.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 125.41 1.484 . . . . 0.0 112.254 172.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.95 -38.17 84.9 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 176.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 1.33 ' O ' ' CD1' ' B' ' 35' ' ' ILE . . . -69.01 -35.84 77.12 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.52 1.128 . . . . 0.0 112.422 175.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 21.9 m -65.44 -40.38 93.21 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.098 0.959 . . . . 0.0 113.383 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.07 -40.61 88.05 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 C-N-CA 124.618 1.167 . . . . 0.0 112.058 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 mt -62.28 -42.33 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-N 114.611 -1.177 . . . . 0.0 112.753 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . 0.765 ' CA ' HD13 ' B' ' 38' ' ' LEU . . . -59.24 -39.13 94.19 Favored Glycine 0 C--N 1.351 1.362 0 O-C-N 121.091 -1.006 . . . . 0.0 115.032 175.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . 1.37 ' CD1' ' O ' ' A' ' 30' ' ' ALA . 26.1 mm -67.28 -43.45 88.09 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 O-C-N 121.649 -0.912 . . . . 0.0 112.65 175.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.25 -42.01 97.88 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 120.497 -1.377 . . . . 0.0 113.152 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 1.345 ' CD2' ' CZ3' ' B' ' 41' ' ' TRP . 23.8 t-160 -62.48 -42.29 99.38 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 175.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 1.054 HD23 ' ND1' ' A' ' 37' ' ' HIS . 5.0 mt -65.68 -40.15 92.05 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 120.903 -1.123 . . . . 0.0 113.71 176.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 80.5 mt -57.96 -46.85 87.63 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 C-N-CA 124.851 1.261 . . . . 0.0 112.274 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.42 -46.62 83.31 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 1.358 ' CZ3' ' CD2' ' A' ' 37' ' ' HIS . 90.1 t90 -58.85 -47.46 84.81 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 176.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -58.04 -42.21 82.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 C-N-CA 125.504 1.521 . . . . 0.0 112.313 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 40.0 tp -62.81 -38.88 92.44 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.292 -1.505 . . . . 0.0 113.465 174.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -65.61 -40.33 92.51 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.965 -1.084 . . . . 0.0 113.845 173.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -67.31 -34.05 76.56 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 123.374 0.669 . . . . 0.0 112.721 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--N 1.35 0.629 0 C-N-CA 123.911 0.885 . . . . 0.0 112.434 176.452 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.512 2.672 0 CA-C-O 122.34 1.067 . . . . 0.0 113.193 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 71.1 m -66.71 -25.75 66.68 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 119.014 -2.304 . . . . 0.0 113.961 -174.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -81.06 -53.28 0.79 Allowed Pre-proline 0 CA--C 1.561 1.398 0 C-N-CA 124.866 1.266 . . . . 0.0 111.125 174.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -59.8 -32.23 95.17 Favored 'Trans proline' 0 C--N 1.34 0.121 0 CA-C-N 124.402 2.608 . . . . 0.0 117.597 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.23 -38.56 91.48 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 119.32 0.963 . . . . 0.0 112.639 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 t -63.8 -40.04 87.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 O-C-N 120.474 -1.391 . . . . 0.0 112.724 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 10.7 t -65.02 -41.46 92.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 C-N-CA 125.261 1.425 . . . . 0.0 112.22 172.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.82 -38.34 85.08 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 176.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 1.378 ' O ' ' CD1' ' A' ' 35' ' ' ILE . . . -68.94 -35.85 77.26 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 124.377 1.071 . . . . 0.0 112.449 175.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 21.8 m -65.37 -40.44 93.55 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.138 0.975 . . . . 0.0 113.372 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.05 -40.58 87.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 C-N-CA 124.597 1.159 . . . . 0.0 112.078 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 17.8 mt -62.24 -42.28 94.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.831 176.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . 0.753 ' CA ' HD13 ' A' ' 38' ' ' LEU . . . -59.27 -39.15 94.26 Favored Glycine 0 C--N 1.35 1.342 0 O-C-N 121.089 -1.007 . . . . 0.0 114.968 175.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . 1.342 ' CD1' ' O ' ' B' ' 30' ' ' ALA . 26.7 mm -67.35 -43.42 87.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 O-C-N 121.871 -0.782 . . . . 0.0 112.709 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.19 -42.08 97.94 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 120.542 -1.349 . . . . 0.0 113.133 175.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 1.277 ' CD2' ' CZ3' ' A' ' 41' ' ' TRP . 23.8 t-160 -62.5 -42.15 99.31 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 175.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 1.104 HD23 ' ND1' ' B' ' 37' ' ' HIS . 5.1 mt -65.73 -40.12 91.82 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 120.943 -1.098 . . . . 0.0 113.705 176.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 80.2 mt -57.87 -47.03 87.23 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 124.84 1.256 . . . . 0.0 112.234 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.4 -46.49 83.41 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 1.254 ' CZ3' ' CD2' ' B' ' 37' ' ' HIS . 90.1 t90 -58.78 -47.45 84.67 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 176.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 27.2 mm -58.26 -42.04 82.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 C-N-CA 125.433 1.493 . . . . 0.0 112.31 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.79 -38.85 92.29 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.205 -1.559 . . . . 0.0 113.463 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -65.65 -40.23 92.26 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 173.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -67.44 -33.93 76.16 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 123.404 0.682 . . . . 0.0 112.693 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--N 1.35 0.593 0 C-N-CA 123.991 0.917 . . . . 0.0 112.341 176.408 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' 308 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_