data_1dlz_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 1dlz _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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.176 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -69.29 -28.42 66.27 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.3 mt -66.14 -44.08 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 CA-C-N 119.224 0.92 . . . . 0.0 112.911 169.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -72.0 -26.99 62.45 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 170.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.319 32.7 pt -69.18 -46.65 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 174.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 m -63.51 -41.48 98.52 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 120.985 1.72 . . . . 0.0 114.641 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.583 2.244 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 163.936 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.66 -13.4 59.84 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 167.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.799 0 CA-C-N 122.641 2.473 . . . . 0.0 114.407 178.608 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -86.01 -1.88 57.77 Favored 'General case' 0 CA--C 1.571 1.765 0 CA-C-O 116.344 -1.789 . . . . 0.0 115.78 168.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.6 2.872 0 CA-C-N 122.609 2.459 . . . . 0.0 112.363 164.641 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.794 0 C-N-CA 124.8 1.24 . . . . 0.0 114.011 176.41 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -75.17 -45.76 0.26 Allowed 'Trans proline' 0 CA--C 1.567 2.131 0 C-N-CA 123.466 2.778 . . . . 0.0 115.672 166.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.244 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 8.2 m-90 -67.01 -17.68 65.03 Favored 'General case' 0 CA--C 1.568 1.661 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.256 82.6 mt -61.65 -43.79 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 CA-C-N 119.792 1.178 . . . . 0.0 113.295 168.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -76.67 -28.66 56.04 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 116.634 2.087 . . . . 0.0 116.634 175.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.5 mm -65.32 -54.41 29.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.553 0 CA-C-O 117.08 -1.438 . . . . 0.0 113.657 172.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.8 m -61.59 -44.49 96.91 Favored 'General case' 0 N--CA 1.5 2.072 0 CA-C-N 121.412 1.914 . . . . 0.0 114.819 -174.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.582 2.188 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 165.643 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.4 mt -78.87 -15.12 58.77 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 115.675 1.731 . . . . 0.0 115.675 168.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.862 0 CA-C-N 122.302 2.319 . . . . 0.0 114.841 178.486 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -88.95 7.05 36.57 Favored 'General case' 0 CA--C 1.572 1.798 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 167.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.602 2.944 0 CA-C-N 122.599 2.454 . . . . 0.0 111.748 159.644 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.595 2.706 0 C-N-CA 125.093 1.357 . . . . 0.0 114.073 176.84 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.48 -41.28 0.46 Allowed 'Trans proline' 0 CA--C 1.564 1.977 0 CA-C-N 124.385 2.602 . . . . 0.0 116.631 168.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.277 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 11.9 p90 -64.79 -20.65 66.5 Favored 'General case' 0 CA--C 1.567 1.633 0 N-CA-C 116.315 1.969 . . . . 0.0 116.315 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.325 8.1 tp -64.87 -33.81 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 172.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -79.57 -33.37 41.8 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 172.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.3 mm -67.1 -56.16 14.81 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.604 0 CA-C-O 117.112 -1.423 . . . . 0.0 113.519 172.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.5 m -63.26 -42.72 99.19 Favored 'General case' 0 N--CA 1.503 2.187 0 CA-C-N 121.549 1.977 . . . . 0.0 115.005 -174.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.318 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 164.448 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.9 mt -77.01 -15.9 59.48 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 167.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.84 0 CA-C-N 122.288 2.313 . . . . 0.0 115.11 179.655 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -86.66 0.08 55.25 Favored 'General case' 0 CA--C 1.565 1.523 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 167.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.6 2.882 0 CA-C-N 122.557 2.435 . . . . 0.0 111.984 162.644 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.804 0 CA-C-N 120.662 1.574 . . . . 0.0 113.589 178.046 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -76.77 -43.63 0.26 Allowed 'Trans proline' 0 CA--C 1.567 2.136 0 C-N-CA 123.534 2.823 . . . . 0.0 116.025 166.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.273 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 12.7 p-90 -64.15 -25.44 68.09 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.317 2.4 pp -61.9 -34.59 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 171.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -71.19 -40.75 71.02 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 169.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.315 24.9 pt -67.2 -45.59 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 176.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.5 m -60.09 -43.83 95.24 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-N 121.047 1.749 . . . . 0.0 114.351 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.195 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 165.073 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -77.29 -19.98 55.7 Favored 'General case' 0 CA--C 1.559 1.299 0 N-CA-C 116.002 1.852 . . . . 0.0 116.002 167.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.817 0 CA-C-N 121.799 2.09 . . . . 0.0 114.453 176.344 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -97.36 18.2 15.74 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 166.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.821 0 CA-C-N 121.565 1.984 . . . . 0.0 110.618 152.31 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.72 0 C-N-CA 124.982 1.313 . . . . 0.0 114.034 179.143 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -75.89 -44.11 0.29 Allowed 'Trans proline' 0 CA--C 1.564 1.99 0 CA-C-N 124.445 2.623 . . . . 0.0 115.936 166.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -68.26 -41.17 81.51 Favored 'General case' 0 CA--C 1.568 1.669 0 O-C-N 124.172 0.92 . . . . 0.0 113.465 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.257 43.4 mm -65.32 -39.62 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 169.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -63.62 -44.04 95.07 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 171.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.346 2.4 pp -68.73 -41.64 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 178.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.4 m -63.33 -44.61 94.41 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 120.634 1.561 . . . . 0.0 114.186 177.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.581 2.157 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 164.342 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.6 mt -79.92 -16.26 55.66 Favored 'General case' 0 CA--C 1.561 1.375 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 169.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.862 0 CA-C-N 121.781 2.082 . . . . 0.0 115.216 177.749 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -97.81 13.91 28.86 Favored 'General case' 0 CA--C 1.572 1.794 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 169.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.822 0 CA-C-N 121.797 2.09 . . . . 0.0 111.111 153.575 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.731 0 C-N-CA 124.919 1.287 . . . . 0.0 114.17 178.098 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -76.97 -42.55 0.3 Allowed 'Trans proline' 0 CA--C 1.567 2.151 0 CA-C-N 124.356 2.591 . . . . 0.0 116.136 167.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.304 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -63.45 -18.39 63.7 Favored 'General case' 0 CA--C 1.572 1.804 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.297 0.3 OUTLIER -64.58 -43.21 96.75 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.654 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 171.424 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -62.65 -42.61 99.7 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 168.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.329 13.6 tt -68.19 -44.59 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 115.381 1.622 . . . . 0.0 115.381 175.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.9 m -59.49 -44.44 93.07 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 120.84 1.655 . . . . 0.0 114.481 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.231 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 164.824 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -76.84 -20.52 56.24 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-O 116.243 -1.837 . . . . 0.0 115.851 167.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.833 0 CA-C-N 122.357 2.344 . . . . 0.0 114.072 176.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -92.25 7.98 40.25 Favored 'General case' 0 CA--C 1.571 1.757 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 169.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.6 2.883 0 CA-C-N 122.33 2.332 . . . . 0.0 111.471 157.942 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.804 0 C-N-CA 124.966 1.306 . . . . 0.0 114.027 177.942 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -76.83 -42.46 0.32 Allowed 'Trans proline' 0 CA--C 1.568 2.196 0 C-N-CA 123.306 2.671 . . . . 0.0 116.137 167.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.255 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -68.7 -36.42 78.45 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.323 2.4 pp -65.31 -32.59 58.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 115.826 1.787 . . . . 0.0 115.826 169.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -79.83 -32.09 40.61 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 168.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.353 10.4 tp -69.01 -49.18 65.24 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.495 0 N-CA-C 115.529 1.677 . . . . 0.0 115.529 171.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.6 m -63.01 -43.07 99.76 Favored 'General case' 0 N--CA 1.503 2.213 0 CA-C-N 121.733 2.061 . . . . 0.0 115.114 -177.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.308 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 164.544 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.2 mt -76.85 -15.99 59.55 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 116.347 -1.787 . . . . 0.0 115.696 168.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.752 0 CA-C-N 122.166 2.257 . . . . 0.0 114.533 179.819 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.57 3.95 38.27 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 116.553 2.057 . . . . 0.0 116.553 164.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.853 0 CA-C-N 123.043 2.656 . . . . 0.0 111.952 162.14 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.78 0 C-N-CA 125.054 1.341 . . . . 0.0 114.368 177.065 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -76.35 -44.04 0.27 Allowed 'Trans proline' 0 CA--C 1.562 1.883 0 C-N-CA 123.254 2.636 . . . . 0.0 116.061 167.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -69.59 -29.07 66.52 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.267 80.4 mt -67.12 -43.25 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 CA-C-N 119.463 1.029 . . . . 0.0 113.152 170.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -72.34 -29.7 64.05 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 171.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.3 mt -62.68 -60.27 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 117.283 -1.342 . . . . 0.0 112.951 173.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.8 p -61.64 -42.92 99.56 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -174.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.34 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 165.615 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.7 mt -77.66 -17.96 57.18 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 116.27 -1.824 . . . . 0.0 115.503 167.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.832 0 CA-C-N 122.323 2.329 . . . . 0.0 114.841 177.329 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -91.6 11.31 24.7 Favored 'General case' 0 CA--C 1.571 1.773 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 166.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.834 0 CA-C-N 122.012 2.187 . . . . 0.0 111.59 158.052 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.595 2.704 0 C-N-CA 124.995 1.318 . . . . 0.0 114.124 175.298 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -74.77 -49.83 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.133 0 C-N-CA 123.247 2.632 . . . . 0.0 115.498 165.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.198 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 15.3 p90 -63.38 -33.56 75.82 Favored 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 115.448 1.648 . . . . 0.0 115.448 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.264 46.1 pt -68.14 -37.17 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 171.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -69.06 -42.14 76.67 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 168.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.337 10.8 tt -67.89 -44.62 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.466 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.7 m -61.01 -44.75 96.96 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 121.181 1.81 . . . . 0.0 114.594 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.584 2.278 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 164.311 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mt -76.9 -20.9 55.68 Favored 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 116.431 2.011 . . . . 0.0 116.431 169.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.766 0 CA-C-N 121.37 1.895 . . . . 0.0 114.086 178.697 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -87.47 -2.49 58.66 Favored 'General case' 0 CA--C 1.568 1.65 0 CA-C-O 116.262 -1.827 . . . . 0.0 115.773 168.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.6 2.903 0 CA-C-N 122.617 2.462 . . . . 0.0 113.013 163.129 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.816 0 C-N-CA 124.885 1.274 . . . . 0.0 114.163 176.86 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -78.04 -41.4 0.3 Allowed 'Trans proline' 0 CA--C 1.569 2.236 0 C-N-CA 123.526 2.818 . . . . 0.0 116.454 166.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.207 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -66.62 -38.38 86.84 Favored 'General case' 0 CA--C 1.566 1.563 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.323 0.1 OUTLIER -65.21 -44.81 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 176.554 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -70.55 -34.01 71.77 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 116.458 2.022 . . . . 0.0 116.458 170.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.3 mm -65.74 -56.03 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.395 0 CA-C-O 117.419 -1.277 . . . . 0.0 113.39 175.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.6 p -62.67 -41.22 98.96 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 115.84 1.793 . . . . 0.0 115.84 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.333 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 163.48 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.9 mt -76.58 -14.1 60.02 Favored 'General case' 0 CA--C 1.56 1.327 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 167.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.805 0 CA-C-N 122.314 2.325 . . . . 0.0 115.36 178.566 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -91.41 10.58 27.01 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 166.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.749 0 CA-C-N 122.189 2.268 . . . . 0.0 111.153 156.919 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.758 0 CA-C-N 119.957 1.253 . . . . 0.0 113.732 179.072 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -78.17 -42.74 0.22 Allowed 'Trans proline' 0 CA--C 1.565 2.072 0 CA-C-N 124.504 2.644 . . . . 0.0 115.996 166.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.248 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -65.7 -36.33 83.32 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.3 mm -64.56 -36.46 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 CA-C-O 117.522 -1.227 . . . . 0.0 114.133 170.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -79.41 -28.38 41.77 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 171.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.292 3.1 mp -66.61 -57.31 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 CA-C-O 117.102 -1.428 . . . . 0.0 112.78 172.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.1 m -59.88 -40.66 89.45 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 121.248 1.84 . . . . 0.0 115.295 -173.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.583 2.245 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 165.303 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -75.19 -12.87 60.39 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-O 115.748 -2.073 . . . . 0.0 116.508 167.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.826 0 CA-C-N 123.46 2.845 . . . . 0.0 114.984 -178.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -91.99 9.39 33.38 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 170.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.601 2.908 0 CA-C-N 122.689 2.495 . . . . 0.0 111.664 161.238 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.725 0 C-N-CA 125.029 1.331 . . . . 0.0 114.155 177.897 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -76.11 -43.34 0.32 Allowed 'Trans proline' 0 CA--C 1.564 1.994 0 CA-C-N 124.451 2.625 . . . . 0.0 116.168 168.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.239 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 9.3 t-105 -67.95 -17.65 64.51 Favored 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.324 2.3 pp -61.58 -30.6 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 165.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -71.26 -45.18 63.77 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 167.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.316 13.5 tt -69.29 -46.15 77.73 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.468 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 175.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.4 m -60.44 -44.57 95.69 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-N 121.201 1.819 . . . . 0.0 114.559 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.248 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 164.711 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.6 mt -77.45 -15.58 59.24 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 169.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.799 0 CA-C-N 122.135 2.243 . . . . 0.0 114.535 -178.061 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -96.74 12.35 32.28 Favored 'General case' 0 CA--C 1.57 1.725 0 CA-C-O 116.681 -1.628 . . . . 0.0 115.359 169.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.778 0 CA-C-N 122.548 2.431 . . . . 0.0 111.423 155.755 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.852 0 CA-C-O 117.629 -1.176 . . . . 0.0 113.81 178.143 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -75.23 -43.17 0.4 Allowed 'Trans proline' 0 CA--C 1.569 2.232 0 CA-C-N 124.547 2.66 . . . . 0.0 115.979 168.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.167 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -70.15 -42.88 71.94 Favored 'General case' 0 CA--C 1.566 1.591 0 O-C-N 124.258 0.974 . . . . 0.0 113.189 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.287 2.4 pp -61.83 -35.75 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 167.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -69.3 -44.03 72.59 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 171.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.361 13.3 tt -70.35 -43.97 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 178.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.1 m -57.7 -44.63 86.03 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 121.483 1.947 . . . . 0.0 114.749 176.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.582 2.189 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 165.477 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.66 -14.89 59.93 Favored 'General case' 0 CA--C 1.557 1.241 0 N-CA-C 116.376 1.991 . . . . 0.0 116.376 169.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.804 0 CA-C-N 122.189 2.268 . . . . 0.0 114.96 -178.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -95.76 9.78 39.26 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 169.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.846 0 CA-C-N 122.154 2.252 . . . . 0.0 111.104 156.251 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.74 0 CA-C-N 120.14 1.336 . . . . 0.0 113.312 -178.343 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -77.82 -42.5 0.25 Allowed 'Trans proline' 0 CA--C 1.565 2.037 0 CA-C-N 124.537 2.656 . . . . 0.0 116.139 167.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.288 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 19.7 t-105 -68.06 -18.91 64.81 Favored 'General case' 0 CA--C 1.569 1.689 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.25 31.9 pt -57.7 -34.74 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 116.346 1.98 . . . . 0.0 116.346 164.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -71.44 -44.02 65.62 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 171.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.303 14.0 tt -69.97 -45.01 78.02 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.381 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.7 m -61.22 -44.22 97.62 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-N 120.928 1.694 . . . . 0.0 114.357 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.582 2.182 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 165.367 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.7 mt -79.28 -16.21 56.78 Favored 'General case' 0 CA--C 1.561 1.372 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 169.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.764 0 CA-C-N 122.003 2.183 . . . . 0.0 115.103 -179.185 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -100.07 19.8 15.65 Favored 'General case' 0 CA--C 1.571 1.755 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 170.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.771 0 CA-C-N 121.729 2.059 . . . . 0.0 110.84 152.046 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.717 0 CA-C-O 117.451 -1.261 . . . . 0.0 113.816 -179.841 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -77.95 -39.74 0.45 Allowed 'Trans proline' 0 CA--C 1.566 2.086 0 CA-C-N 124.552 2.661 . . . . 0.0 116.577 168.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -69.13 -38.74 79.0 Favored 'General case' 0 CA--C 1.566 1.574 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.252 78.2 mt -63.99 -40.24 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 169.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.83 -42.29 90.72 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 115.27 1.582 . . . . 0.0 115.27 171.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.355 11.9 tt -68.39 -46.02 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 175.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.9 m -59.85 -46.56 88.9 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 121.121 1.782 . . . . 0.0 114.722 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.204 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 165.422 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.9 mt -76.8 -19.08 57.98 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 169.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.763 0 CA-C-N 122.031 2.196 . . . . 0.0 114.704 -177.516 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -93.8 6.02 49.76 Favored 'General case' 0 CA--C 1.568 1.673 0 CA-C-O 116.33 -1.795 . . . . 0.0 115.697 172.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.83 0 CA-C-N 122.732 2.515 . . . . 0.0 112.213 159.574 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.814 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 178.046 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.98 -42.62 0.24 Allowed 'Trans proline' 0 CA--C 1.568 2.22 0 C-N-CA 123.52 2.813 . . . . 0.0 116.194 167.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.251 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -66.7 -24.51 66.26 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.6 mm -63.16 -42.58 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 167.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -62.72 -43.0 99.93 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 171.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.34 9.3 tp -69.1 -43.19 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 N-CA-C 115.605 1.705 . . . . 0.0 115.605 177.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.1 m -60.05 -45.38 93.03 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 121.118 1.781 . . . . 0.0 114.289 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.582 2.179 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 165.55 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.9 mt -77.71 -17.12 57.95 Favored 'General case' 0 CA--C 1.559 1.298 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 169.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.761 0 CA-C-N 121.832 2.106 . . . . 0.0 114.849 -178.592 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -93.41 11.92 26.7 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 169.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.829 0 CA-C-N 122.467 2.394 . . . . 0.0 110.981 158.664 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.733 0 CA-C-O 117.505 -1.236 . . . . 0.0 113.901 178.66 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -75.95 -45.19 0.24 Allowed 'Trans proline' 0 CA--C 1.565 2.065 0 CA-C-N 124.515 2.648 . . . . 0.0 115.858 166.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.268 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -68.48 -14.53 63.07 Favored 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.291 14.6 tt -61.44 -40.85 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 164.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -73.57 -31.66 63.73 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 172.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.3 mm -64.4 -54.2 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.476 0 C-N-CA 124.873 1.269 . . . . 0.0 114.04 174.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.9 m -59.96 -44.9 94.15 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 120.984 1.72 . . . . 0.0 114.705 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.583 2.246 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 166.11 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.6 mt -78.27 -12.03 59.97 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 169.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.776 0 CA-C-N 122.26 2.3 . . . . 0.0 114.969 -178.823 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -91.55 9.03 33.79 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 169.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.788 0 CA-C-N 122.745 2.521 . . . . 0.0 111.852 160.192 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.832 0 C-N-CA 124.96 1.304 . . . . 0.0 114.136 177.564 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -78.47 -41.38 0.27 Allowed 'Trans proline' 0 CA--C 1.566 2.076 0 C-N-CA 123.36 2.706 . . . . 0.0 116.316 167.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -63.22 -36.19 82.82 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.285 48.3 mm -67.84 -41.96 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -75.14 -26.75 59.41 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 169.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.31 42.4 pt -68.76 -50.1 58.14 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.419 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 175.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.3 m -62.24 -44.96 95.36 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-N 120.755 1.616 . . . . 0.0 114.685 -175.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.333 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 165.503 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -76.93 -15.2 59.74 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-O 116.321 -1.799 . . . . 0.0 115.674 169.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.756 0 CA-C-N 122.218 2.281 . . . . 0.0 115.142 179.671 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -92.14 7.5 42.18 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 170.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.759 0 CA-C-N 122.845 2.566 . . . . 0.0 111.876 160.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.6 2.868 0 C-N-CA 124.869 1.268 . . . . 0.0 114.086 178.602 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -77.39 -41.15 0.36 Allowed 'Trans proline' 0 CA--C 1.567 2.145 0 C-N-CA 123.444 2.763 . . . . 0.0 116.292 167.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.283 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.258 3.1 p-90 -66.27 -30.37 70.79 Favored 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.8 pt -55.96 -28.41 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 117.292 2.33 . . . . 0.0 117.292 165.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -74.11 -46.03 45.35 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.3 mm -68.23 -53.06 31.67 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.564 0 CA-C-O 117.006 -1.473 . . . . 0.0 113.311 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 55.5 m -59.04 -44.41 91.76 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-N 121.371 1.896 . . . . 0.0 114.76 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.244 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 166.289 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.5 mt -77.93 -18.12 56.44 Favored 'General case' 0 CA--C 1.558 1.274 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 168.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.736 0 CA-C-N 122.032 2.196 . . . . 0.0 114.83 -178.23 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.22 10.0 33.74 Favored 'General case' 0 CA--C 1.569 1.674 0 N-CA-C 115.88 1.808 . . . . 0.0 115.88 168.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.78 0 CA-C-N 122.487 2.403 . . . . 0.0 111.763 158.421 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.779 0 C-N-CA 124.828 1.251 . . . . 0.0 113.975 178.432 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -77.1 -47.88 0.12 Allowed 'Trans proline' 0 CA--C 1.565 2.042 0 C-N-CA 123.303 2.669 . . . . 0.0 115.691 167.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -68.48 -45.86 71.27 Favored 'General case' 0 CA--C 1.566 1.582 0 O-C-N 124.326 1.016 . . . . 0.0 112.936 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.318 10.6 tp -64.24 -35.03 72.74 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.604 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 169.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -67.82 -44.16 77.92 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 168.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.336 0.0 OUTLIER -65.55 -49.91 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-O 117.35 -1.31 . . . . 0.0 114.46 174.501 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.0 m -57.75 -47.58 82.06 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 121.117 1.78 . . . . 0.0 114.924 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.174 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 166.79 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.0 mt -76.13 -19.74 58.23 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 116.262 -1.828 . . . . 0.0 115.722 169.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.77 0 CA-C-N 122.245 2.293 . . . . 0.0 114.437 -179.461 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -94.39 9.39 38.5 Favored 'General case' 0 CA--C 1.572 1.804 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 170.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.806 0 CA-C-N 122.709 2.504 . . . . 0.0 111.503 159.11 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.783 0 CA-C-O 117.501 -1.237 . . . . 0.0 113.338 178.417 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -76.26 -48.36 0.14 Allowed 'Trans proline' 0 CA--C 1.566 2.081 0 C-N-CA 123.47 2.78 . . . . 0.0 115.537 168.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.176 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -69.29 -28.42 66.27 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.3 mt -66.14 -44.08 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 CA-C-N 119.224 0.92 . . . . 0.0 112.911 169.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -72.0 -26.99 62.45 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 170.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.319 32.7 pt -69.18 -46.65 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 174.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 m -63.51 -41.48 98.52 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 120.985 1.72 . . . . 0.0 114.641 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.583 2.244 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 163.936 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.66 -13.4 59.84 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 167.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.799 0 CA-C-N 122.641 2.473 . . . . 0.0 114.407 178.608 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -86.01 -1.88 57.77 Favored 'General case' 0 CA--C 1.571 1.765 0 CA-C-O 116.344 -1.789 . . . . 0.0 115.78 168.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.6 2.872 0 CA-C-N 122.609 2.459 . . . . 0.0 112.363 164.641 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.794 0 C-N-CA 124.8 1.24 . . . . 0.0 114.011 176.41 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -75.17 -45.76 0.26 Allowed 'Trans proline' 0 CA--C 1.567 2.131 0 C-N-CA 123.466 2.778 . . . . 0.0 115.672 166.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.244 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 8.2 m-90 -67.01 -17.68 65.03 Favored 'General case' 0 CA--C 1.568 1.661 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.256 82.6 mt -61.65 -43.79 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 CA-C-N 119.792 1.178 . . . . 0.0 113.295 168.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -76.67 -28.66 56.04 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 116.634 2.087 . . . . 0.0 116.634 175.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.5 mm -65.32 -54.41 29.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.553 0 CA-C-O 117.08 -1.438 . . . . 0.0 113.657 172.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.8 m -61.59 -44.49 96.91 Favored 'General case' 0 N--CA 1.5 2.072 0 CA-C-N 121.412 1.914 . . . . 0.0 114.819 -174.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.582 2.188 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 165.643 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.4 mt -78.87 -15.12 58.77 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 115.675 1.731 . . . . 0.0 115.675 168.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.862 0 CA-C-N 122.302 2.319 . . . . 0.0 114.841 178.486 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -88.95 7.05 36.57 Favored 'General case' 0 CA--C 1.572 1.798 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 167.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.602 2.944 0 CA-C-N 122.599 2.454 . . . . 0.0 111.748 159.644 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.595 2.706 0 C-N-CA 125.093 1.357 . . . . 0.0 114.073 176.84 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.48 -41.28 0.46 Allowed 'Trans proline' 0 CA--C 1.564 1.977 0 CA-C-N 124.385 2.602 . . . . 0.0 116.631 168.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.277 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 11.9 p90 -64.79 -20.65 66.5 Favored 'General case' 0 CA--C 1.567 1.633 0 N-CA-C 116.315 1.969 . . . . 0.0 116.315 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.325 8.1 tp -64.87 -33.81 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 172.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -79.57 -33.37 41.8 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 172.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.3 mm -67.1 -56.16 14.81 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.604 0 CA-C-O 117.112 -1.423 . . . . 0.0 113.519 172.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.5 m -63.26 -42.72 99.19 Favored 'General case' 0 N--CA 1.503 2.187 0 CA-C-N 121.549 1.977 . . . . 0.0 115.005 -174.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.318 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 164.448 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.9 mt -77.01 -15.9 59.48 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 167.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.84 0 CA-C-N 122.288 2.313 . . . . 0.0 115.11 179.655 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -86.66 0.08 55.25 Favored 'General case' 0 CA--C 1.565 1.523 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 167.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.6 2.882 0 CA-C-N 122.557 2.435 . . . . 0.0 111.984 162.644 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.804 0 CA-C-N 120.662 1.574 . . . . 0.0 113.589 178.046 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -76.77 -43.63 0.26 Allowed 'Trans proline' 0 CA--C 1.567 2.136 0 C-N-CA 123.534 2.823 . . . . 0.0 116.025 166.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.273 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 12.7 p-90 -64.15 -25.44 68.09 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.317 2.4 pp -61.9 -34.59 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 171.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -71.19 -40.75 71.02 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 169.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.315 24.9 pt -67.2 -45.59 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 176.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.5 m -60.09 -43.83 95.24 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-N 121.047 1.749 . . . . 0.0 114.351 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.195 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 165.073 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -77.29 -19.98 55.7 Favored 'General case' 0 CA--C 1.559 1.299 0 N-CA-C 116.002 1.852 . . . . 0.0 116.002 167.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.817 0 CA-C-N 121.799 2.09 . . . . 0.0 114.453 176.344 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -97.36 18.2 15.74 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 166.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.821 0 CA-C-N 121.565 1.984 . . . . 0.0 110.618 152.31 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.72 0 C-N-CA 124.982 1.313 . . . . 0.0 114.034 179.143 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -75.89 -44.11 0.29 Allowed 'Trans proline' 0 CA--C 1.564 1.99 0 CA-C-N 124.445 2.623 . . . . 0.0 115.936 166.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -68.26 -41.17 81.51 Favored 'General case' 0 CA--C 1.568 1.669 0 O-C-N 124.172 0.92 . . . . 0.0 113.465 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.257 43.4 mm -65.32 -39.62 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 169.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -63.62 -44.04 95.07 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 171.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.346 2.4 pp -68.73 -41.64 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 178.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.4 m -63.33 -44.61 94.41 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 120.634 1.561 . . . . 0.0 114.186 177.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.581 2.157 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 164.342 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.6 mt -79.92 -16.26 55.66 Favored 'General case' 0 CA--C 1.561 1.375 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 169.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.862 0 CA-C-N 121.781 2.082 . . . . 0.0 115.216 177.749 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -97.81 13.91 28.86 Favored 'General case' 0 CA--C 1.572 1.794 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 169.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.822 0 CA-C-N 121.797 2.09 . . . . 0.0 111.111 153.575 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.731 0 C-N-CA 124.919 1.287 . . . . 0.0 114.17 178.098 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -76.97 -42.55 0.3 Allowed 'Trans proline' 0 CA--C 1.567 2.151 0 CA-C-N 124.356 2.591 . . . . 0.0 116.136 167.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.304 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -63.45 -18.39 63.7 Favored 'General case' 0 CA--C 1.572 1.804 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.297 0.3 OUTLIER -64.58 -43.21 96.75 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.654 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 171.424 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -62.65 -42.61 99.7 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 168.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.329 13.6 tt -68.19 -44.59 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 115.381 1.622 . . . . 0.0 115.381 175.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.9 m -59.49 -44.44 93.07 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 120.84 1.655 . . . . 0.0 114.481 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.231 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 164.824 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -76.84 -20.52 56.24 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-O 116.243 -1.837 . . . . 0.0 115.851 167.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.833 0 CA-C-N 122.357 2.344 . . . . 0.0 114.072 176.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -92.25 7.98 40.25 Favored 'General case' 0 CA--C 1.571 1.757 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 169.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.6 2.883 0 CA-C-N 122.33 2.332 . . . . 0.0 111.471 157.942 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.804 0 C-N-CA 124.966 1.306 . . . . 0.0 114.027 177.942 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -76.83 -42.46 0.32 Allowed 'Trans proline' 0 CA--C 1.568 2.196 0 C-N-CA 123.306 2.671 . . . . 0.0 116.137 167.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.255 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -68.7 -36.42 78.45 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.323 2.4 pp -65.31 -32.59 58.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 115.826 1.787 . . . . 0.0 115.826 169.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -79.83 -32.09 40.61 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 168.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.353 10.4 tp -69.01 -49.18 65.24 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.495 0 N-CA-C 115.529 1.677 . . . . 0.0 115.529 171.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.6 m -63.01 -43.07 99.76 Favored 'General case' 0 N--CA 1.503 2.213 0 CA-C-N 121.733 2.061 . . . . 0.0 115.114 -177.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.308 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 164.544 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.2 mt -76.85 -15.99 59.55 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 116.347 -1.787 . . . . 0.0 115.696 168.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.752 0 CA-C-N 122.166 2.257 . . . . 0.0 114.533 179.819 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.57 3.95 38.27 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 116.553 2.057 . . . . 0.0 116.553 164.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.853 0 CA-C-N 123.043 2.656 . . . . 0.0 111.952 162.14 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.78 0 C-N-CA 125.054 1.341 . . . . 0.0 114.368 177.065 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -76.35 -44.04 0.27 Allowed 'Trans proline' 0 CA--C 1.562 1.883 0 C-N-CA 123.254 2.636 . . . . 0.0 116.061 167.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -69.59 -29.07 66.52 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.267 80.4 mt -67.12 -43.25 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 CA-C-N 119.463 1.029 . . . . 0.0 113.152 170.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -72.34 -29.7 64.05 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 171.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.3 mt -62.68 -60.27 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 117.283 -1.342 . . . . 0.0 112.951 173.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.8 p -61.64 -42.92 99.56 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -174.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.34 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 165.615 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.7 mt -77.66 -17.96 57.18 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 116.27 -1.824 . . . . 0.0 115.503 167.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.832 0 CA-C-N 122.323 2.329 . . . . 0.0 114.841 177.329 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -91.6 11.31 24.7 Favored 'General case' 0 CA--C 1.571 1.773 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 166.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.834 0 CA-C-N 122.012 2.187 . . . . 0.0 111.59 158.052 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.595 2.704 0 C-N-CA 124.995 1.318 . . . . 0.0 114.124 175.298 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -74.77 -49.83 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.133 0 C-N-CA 123.247 2.632 . . . . 0.0 115.498 165.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.198 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 15.3 p90 -63.38 -33.56 75.82 Favored 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 115.448 1.648 . . . . 0.0 115.448 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.264 46.1 pt -68.14 -37.17 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 171.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -69.06 -42.14 76.67 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 168.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.337 10.8 tt -67.89 -44.62 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.466 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.7 m -61.01 -44.75 96.96 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 121.181 1.81 . . . . 0.0 114.594 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.584 2.278 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 164.311 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mt -76.9 -20.9 55.68 Favored 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 116.431 2.011 . . . . 0.0 116.431 169.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.766 0 CA-C-N 121.37 1.895 . . . . 0.0 114.086 178.697 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -87.47 -2.49 58.66 Favored 'General case' 0 CA--C 1.568 1.65 0 CA-C-O 116.262 -1.827 . . . . 0.0 115.773 168.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.6 2.903 0 CA-C-N 122.617 2.462 . . . . 0.0 113.013 163.129 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.816 0 C-N-CA 124.885 1.274 . . . . 0.0 114.163 176.86 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -78.04 -41.4 0.3 Allowed 'Trans proline' 0 CA--C 1.569 2.236 0 C-N-CA 123.526 2.818 . . . . 0.0 116.454 166.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.207 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -66.62 -38.38 86.84 Favored 'General case' 0 CA--C 1.566 1.563 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.323 0.1 OUTLIER -65.21 -44.81 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 176.554 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -70.55 -34.01 71.77 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 116.458 2.022 . . . . 0.0 116.458 170.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.3 mm -65.74 -56.03 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.395 0 CA-C-O 117.419 -1.277 . . . . 0.0 113.39 175.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.6 p -62.67 -41.22 98.96 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 115.84 1.793 . . . . 0.0 115.84 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.333 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 163.48 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.9 mt -76.58 -14.1 60.02 Favored 'General case' 0 CA--C 1.56 1.327 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 167.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.805 0 CA-C-N 122.314 2.325 . . . . 0.0 115.36 178.566 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -91.41 10.58 27.01 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 166.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.749 0 CA-C-N 122.189 2.268 . . . . 0.0 111.153 156.919 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.758 0 CA-C-N 119.957 1.253 . . . . 0.0 113.732 179.072 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -78.17 -42.74 0.22 Allowed 'Trans proline' 0 CA--C 1.565 2.072 0 CA-C-N 124.504 2.644 . . . . 0.0 115.996 166.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.248 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -65.7 -36.33 83.32 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.3 mm -64.56 -36.46 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 CA-C-O 117.522 -1.227 . . . . 0.0 114.133 170.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -79.41 -28.38 41.77 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 171.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.292 3.1 mp -66.61 -57.31 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 CA-C-O 117.102 -1.428 . . . . 0.0 112.78 172.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.1 m -59.88 -40.66 89.45 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 121.248 1.84 . . . . 0.0 115.295 -173.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.583 2.245 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 165.303 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -75.19 -12.87 60.39 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-O 115.748 -2.073 . . . . 0.0 116.508 167.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.826 0 CA-C-N 123.46 2.845 . . . . 0.0 114.984 -178.964 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -91.99 9.39 33.38 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 170.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.601 2.908 0 CA-C-N 122.689 2.495 . . . . 0.0 111.664 161.238 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.725 0 C-N-CA 125.029 1.331 . . . . 0.0 114.155 177.897 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -76.11 -43.34 0.32 Allowed 'Trans proline' 0 CA--C 1.564 1.994 0 CA-C-N 124.451 2.625 . . . . 0.0 116.168 168.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.239 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 9.3 t-105 -67.95 -17.65 64.51 Favored 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.324 2.3 pp -61.58 -30.6 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 165.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -71.26 -45.18 63.77 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 167.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.316 13.5 tt -69.29 -46.15 77.73 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.468 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 175.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.4 m -60.44 -44.57 95.69 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-N 121.201 1.819 . . . . 0.0 114.559 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.248 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 164.711 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.6 mt -77.45 -15.58 59.24 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 169.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.799 0 CA-C-N 122.135 2.243 . . . . 0.0 114.535 -178.061 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -96.74 12.35 32.28 Favored 'General case' 0 CA--C 1.57 1.725 0 CA-C-O 116.681 -1.628 . . . . 0.0 115.359 169.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.778 0 CA-C-N 122.548 2.431 . . . . 0.0 111.423 155.755 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.852 0 CA-C-O 117.629 -1.176 . . . . 0.0 113.81 178.143 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -75.23 -43.17 0.4 Allowed 'Trans proline' 0 CA--C 1.569 2.232 0 CA-C-N 124.547 2.66 . . . . 0.0 115.979 168.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.167 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -70.15 -42.88 71.94 Favored 'General case' 0 CA--C 1.566 1.591 0 O-C-N 124.258 0.974 . . . . 0.0 113.189 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.287 2.4 pp -61.83 -35.75 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 167.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -69.3 -44.03 72.59 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 171.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.361 13.3 tt -70.35 -43.97 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 178.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.1 m -57.7 -44.63 86.03 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 121.483 1.947 . . . . 0.0 114.749 176.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.582 2.189 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 165.477 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.66 -14.89 59.93 Favored 'General case' 0 CA--C 1.557 1.241 0 N-CA-C 116.376 1.991 . . . . 0.0 116.376 169.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.804 0 CA-C-N 122.189 2.268 . . . . 0.0 114.96 -178.967 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -95.76 9.78 39.26 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 169.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.846 0 CA-C-N 122.154 2.252 . . . . 0.0 111.104 156.251 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.74 0 CA-C-N 120.14 1.336 . . . . 0.0 113.312 -178.343 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -77.82 -42.5 0.25 Allowed 'Trans proline' 0 CA--C 1.565 2.037 0 CA-C-N 124.537 2.656 . . . . 0.0 116.139 167.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.288 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 19.7 t-105 -68.06 -18.91 64.81 Favored 'General case' 0 CA--C 1.569 1.689 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.25 31.9 pt -57.7 -34.74 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 116.346 1.98 . . . . 0.0 116.346 164.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -71.44 -44.02 65.62 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 171.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.303 14.0 tt -69.97 -45.01 78.02 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.381 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.7 m -61.22 -44.22 97.62 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-N 120.928 1.694 . . . . 0.0 114.357 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.582 2.182 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 165.367 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.7 mt -79.28 -16.21 56.78 Favored 'General case' 0 CA--C 1.561 1.372 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 169.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.764 0 CA-C-N 122.003 2.183 . . . . 0.0 115.103 -179.185 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -100.07 19.8 15.65 Favored 'General case' 0 CA--C 1.571 1.755 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 170.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.771 0 CA-C-N 121.729 2.059 . . . . 0.0 110.84 152.046 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.717 0 CA-C-O 117.451 -1.261 . . . . 0.0 113.816 -179.841 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -77.95 -39.74 0.45 Allowed 'Trans proline' 0 CA--C 1.566 2.086 0 CA-C-N 124.552 2.661 . . . . 0.0 116.577 168.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -69.13 -38.74 79.0 Favored 'General case' 0 CA--C 1.566 1.574 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.252 78.2 mt -63.99 -40.24 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 169.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.83 -42.29 90.72 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 115.27 1.582 . . . . 0.0 115.27 171.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.355 11.9 tt -68.39 -46.02 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 175.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.9 m -59.85 -46.56 88.9 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 121.121 1.782 . . . . 0.0 114.722 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.204 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 165.422 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.9 mt -76.8 -19.08 57.98 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 169.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.763 0 CA-C-N 122.031 2.196 . . . . 0.0 114.704 -177.516 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -93.8 6.02 49.76 Favored 'General case' 0 CA--C 1.568 1.673 0 CA-C-O 116.33 -1.795 . . . . 0.0 115.697 172.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.83 0 CA-C-N 122.732 2.515 . . . . 0.0 112.213 159.574 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.814 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 178.046 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.98 -42.62 0.24 Allowed 'Trans proline' 0 CA--C 1.568 2.22 0 C-N-CA 123.52 2.813 . . . . 0.0 116.194 167.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.251 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -66.7 -24.51 66.26 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.6 mm -63.16 -42.58 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 167.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -62.72 -43.0 99.93 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 171.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.34 9.3 tp -69.1 -43.19 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 N-CA-C 115.605 1.705 . . . . 0.0 115.605 177.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.1 m -60.05 -45.38 93.03 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 121.118 1.781 . . . . 0.0 114.289 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.582 2.179 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 165.55 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.9 mt -77.71 -17.12 57.95 Favored 'General case' 0 CA--C 1.559 1.298 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 169.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.761 0 CA-C-N 121.832 2.106 . . . . 0.0 114.849 -178.592 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -93.41 11.92 26.7 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 169.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.829 0 CA-C-N 122.467 2.394 . . . . 0.0 110.981 158.664 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.733 0 CA-C-O 117.505 -1.236 . . . . 0.0 113.901 178.66 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -75.95 -45.19 0.24 Allowed 'Trans proline' 0 CA--C 1.565 2.065 0 CA-C-N 124.515 2.648 . . . . 0.0 115.858 166.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.268 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -68.48 -14.53 63.07 Favored 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.291 14.6 tt -61.44 -40.85 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 164.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -73.57 -31.66 63.73 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 172.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.3 mm -64.4 -54.2 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.476 0 C-N-CA 124.873 1.269 . . . . 0.0 114.04 174.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.9 m -59.96 -44.9 94.15 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 120.984 1.72 . . . . 0.0 114.705 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.583 2.246 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 166.11 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.6 mt -78.27 -12.03 59.97 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 169.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.776 0 CA-C-N 122.26 2.3 . . . . 0.0 114.969 -178.823 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -91.55 9.03 33.79 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 169.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.788 0 CA-C-N 122.745 2.521 . . . . 0.0 111.852 160.192 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.832 0 C-N-CA 124.96 1.304 . . . . 0.0 114.136 177.564 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -78.47 -41.38 0.27 Allowed 'Trans proline' 0 CA--C 1.566 2.076 0 C-N-CA 123.36 2.706 . . . . 0.0 116.316 167.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -63.22 -36.19 82.82 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.285 48.3 mm -67.84 -41.96 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -75.14 -26.75 59.41 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 169.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.31 42.4 pt -68.76 -50.1 58.14 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.419 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 175.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.3 m -62.24 -44.96 95.36 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-N 120.755 1.616 . . . . 0.0 114.685 -175.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.333 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 165.503 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -76.93 -15.2 59.74 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-O 116.321 -1.799 . . . . 0.0 115.674 169.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.756 0 CA-C-N 122.218 2.281 . . . . 0.0 115.142 179.671 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -92.14 7.5 42.18 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 170.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.759 0 CA-C-N 122.845 2.566 . . . . 0.0 111.876 160.965 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.6 2.868 0 C-N-CA 124.869 1.268 . . . . 0.0 114.086 178.602 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -77.39 -41.15 0.36 Allowed 'Trans proline' 0 CA--C 1.567 2.145 0 C-N-CA 123.444 2.763 . . . . 0.0 116.292 167.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.283 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.258 3.1 p-90 -66.27 -30.37 70.79 Favored 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.8 pt -55.96 -28.41 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 117.292 2.33 . . . . 0.0 117.292 165.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -74.11 -46.03 45.35 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.3 mm -68.23 -53.06 31.67 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.564 0 CA-C-O 117.006 -1.473 . . . . 0.0 113.311 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 55.5 m -59.04 -44.41 91.76 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-N 121.371 1.896 . . . . 0.0 114.76 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.244 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 166.289 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.5 mt -77.93 -18.12 56.44 Favored 'General case' 0 CA--C 1.558 1.274 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 168.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.736 0 CA-C-N 122.032 2.196 . . . . 0.0 114.83 -178.23 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.22 10.0 33.74 Favored 'General case' 0 CA--C 1.569 1.674 0 N-CA-C 115.88 1.808 . . . . 0.0 115.88 168.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.78 0 CA-C-N 122.487 2.403 . . . . 0.0 111.763 158.421 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.779 0 C-N-CA 124.828 1.251 . . . . 0.0 113.975 178.432 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -77.1 -47.88 0.12 Allowed 'Trans proline' 0 CA--C 1.565 2.042 0 C-N-CA 123.303 2.669 . . . . 0.0 115.691 167.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -68.48 -45.86 71.27 Favored 'General case' 0 CA--C 1.566 1.582 0 O-C-N 124.326 1.016 . . . . 0.0 112.936 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.318 10.6 tp -64.24 -35.03 72.74 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.604 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 169.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -67.82 -44.16 77.92 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 168.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.336 0.0 OUTLIER -65.55 -49.91 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-O 117.35 -1.31 . . . . 0.0 114.46 174.501 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.0 m -57.75 -47.58 82.06 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 121.117 1.78 . . . . 0.0 114.924 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.174 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 166.79 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.0 mt -76.13 -19.74 58.23 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 116.262 -1.828 . . . . 0.0 115.722 169.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.77 0 CA-C-N 122.245 2.293 . . . . 0.0 114.437 -179.461 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -94.39 9.39 38.5 Favored 'General case' 0 CA--C 1.572 1.804 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 170.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.806 0 CA-C-N 122.709 2.504 . . . . 0.0 111.503 159.11 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.783 0 CA-C-O 117.501 -1.237 . . . . 0.0 113.338 178.417 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -76.26 -48.36 0.14 Allowed 'Trans proline' 0 CA--C 1.566 2.081 0 C-N-CA 123.47 2.78 . . . . 0.0 115.537 168.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.176 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -69.29 -28.42 66.27 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.3 mt -66.14 -44.08 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 CA-C-N 119.224 0.92 . . . . 0.0 112.911 169.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -72.0 -26.99 62.45 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 170.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.319 32.7 pt -69.18 -46.65 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 174.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 m -63.51 -41.48 98.52 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 120.985 1.72 . . . . 0.0 114.641 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.583 2.244 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 163.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.66 -13.4 59.84 Favored 'General case' 0 CA--C 1.56 1.344 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 167.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.799 0 CA-C-N 122.641 2.473 . . . . 0.0 114.407 178.608 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -86.01 -1.88 57.77 Favored 'General case' 0 CA--C 1.571 1.765 0 CA-C-O 116.344 -1.789 . . . . 0.0 115.78 168.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.6 2.872 0 CA-C-N 122.609 2.459 . . . . 0.0 112.363 164.641 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.794 0 C-N-CA 124.8 1.24 . . . . 0.0 114.011 176.41 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -75.17 -45.76 0.26 Allowed 'Trans proline' 0 CA--C 1.567 2.131 0 C-N-CA 123.466 2.778 . . . . 0.0 115.672 166.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.244 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 8.2 m-90 -67.01 -17.68 65.03 Favored 'General case' 0 CA--C 1.568 1.661 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.256 82.6 mt -61.65 -43.79 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 CA-C-N 119.792 1.178 . . . . 0.0 113.295 168.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -76.67 -28.66 56.04 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 116.634 2.087 . . . . 0.0 116.634 175.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.5 mm -65.32 -54.41 29.12 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.553 0 CA-C-O 117.08 -1.438 . . . . 0.0 113.657 172.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.8 m -61.59 -44.49 96.91 Favored 'General case' 0 N--CA 1.5 2.072 0 CA-C-N 121.412 1.914 . . . . 0.0 114.819 -174.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.582 2.188 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 165.643 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.4 mt -78.87 -15.12 58.77 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 115.675 1.731 . . . . 0.0 115.675 168.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.862 0 CA-C-N 122.302 2.319 . . . . 0.0 114.841 178.486 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -88.95 7.05 36.57 Favored 'General case' 0 CA--C 1.572 1.798 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 167.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.602 2.944 0 CA-C-N 122.599 2.454 . . . . 0.0 111.748 159.644 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.595 2.706 0 C-N-CA 125.093 1.357 . . . . 0.0 114.073 176.84 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.48 -41.28 0.46 Allowed 'Trans proline' 0 CA--C 1.564 1.977 0 CA-C-N 124.385 2.602 . . . . 0.0 116.631 168.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.277 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 11.9 p90 -64.79 -20.65 66.5 Favored 'General case' 0 CA--C 1.567 1.633 0 N-CA-C 116.315 1.969 . . . . 0.0 116.315 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.325 8.1 tp -64.87 -33.81 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 172.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -79.57 -33.37 41.8 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 172.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.3 mm -67.1 -56.16 14.81 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.604 0 CA-C-O 117.112 -1.423 . . . . 0.0 113.519 172.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.5 m -63.26 -42.72 99.19 Favored 'General case' 0 N--CA 1.503 2.187 0 CA-C-N 121.549 1.977 . . . . 0.0 115.005 -174.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.318 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 164.448 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.9 mt -77.01 -15.9 59.48 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 167.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.84 0 CA-C-N 122.288 2.313 . . . . 0.0 115.11 179.655 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -86.66 0.08 55.25 Favored 'General case' 0 CA--C 1.565 1.523 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 167.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.6 2.882 0 CA-C-N 122.557 2.435 . . . . 0.0 111.984 162.644 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.804 0 CA-C-N 120.662 1.574 . . . . 0.0 113.589 178.046 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -76.77 -43.63 0.26 Allowed 'Trans proline' 0 CA--C 1.567 2.136 0 C-N-CA 123.534 2.823 . . . . 0.0 116.025 166.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.273 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 12.7 p-90 -64.15 -25.44 68.09 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.317 2.4 pp -61.9 -34.59 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 171.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -71.19 -40.75 71.02 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 169.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.315 24.9 pt -67.2 -45.59 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 176.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.5 m -60.09 -43.83 95.24 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-N 121.047 1.749 . . . . 0.0 114.351 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.195 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 165.073 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -77.29 -19.98 55.7 Favored 'General case' 0 CA--C 1.559 1.299 0 N-CA-C 116.002 1.852 . . . . 0.0 116.002 167.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.817 0 CA-C-N 121.799 2.09 . . . . 0.0 114.453 176.344 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -97.36 18.2 15.74 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 166.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.821 0 CA-C-N 121.565 1.984 . . . . 0.0 110.618 152.31 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.72 0 C-N-CA 124.982 1.313 . . . . 0.0 114.034 179.143 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -75.89 -44.11 0.29 Allowed 'Trans proline' 0 CA--C 1.564 1.99 0 CA-C-N 124.445 2.623 . . . . 0.0 115.936 166.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -68.26 -41.17 81.51 Favored 'General case' 0 CA--C 1.568 1.669 0 O-C-N 124.172 0.92 . . . . 0.0 113.465 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.257 43.4 mm -65.32 -39.62 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 169.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -63.62 -44.04 95.07 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 171.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.346 2.4 pp -68.73 -41.64 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 178.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.4 m -63.33 -44.61 94.41 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 120.634 1.561 . . . . 0.0 114.186 177.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.581 2.157 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 164.342 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.6 mt -79.92 -16.26 55.66 Favored 'General case' 0 CA--C 1.561 1.375 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 169.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.862 0 CA-C-N 121.781 2.082 . . . . 0.0 115.216 177.749 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -97.81 13.91 28.86 Favored 'General case' 0 CA--C 1.572 1.794 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 169.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.822 0 CA-C-N 121.797 2.09 . . . . 0.0 111.111 153.575 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.731 0 C-N-CA 124.919 1.287 . . . . 0.0 114.17 178.098 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -76.97 -42.55 0.3 Allowed 'Trans proline' 0 CA--C 1.567 2.151 0 CA-C-N 124.356 2.591 . . . . 0.0 116.136 167.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.304 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -63.45 -18.39 63.7 Favored 'General case' 0 CA--C 1.572 1.804 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.297 0.3 OUTLIER -64.58 -43.21 96.75 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.654 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 171.424 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -62.65 -42.61 99.7 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 168.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.329 13.6 tt -68.19 -44.59 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 115.381 1.622 . . . . 0.0 115.381 175.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.9 m -59.49 -44.44 93.07 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 120.84 1.655 . . . . 0.0 114.481 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.231 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 164.824 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -76.84 -20.52 56.24 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-O 116.243 -1.837 . . . . 0.0 115.851 167.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.833 0 CA-C-N 122.357 2.344 . . . . 0.0 114.072 176.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -92.25 7.98 40.25 Favored 'General case' 0 CA--C 1.571 1.757 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 169.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.6 2.883 0 CA-C-N 122.33 2.332 . . . . 0.0 111.471 157.942 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.804 0 C-N-CA 124.966 1.306 . . . . 0.0 114.027 177.942 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -76.83 -42.46 0.32 Allowed 'Trans proline' 0 CA--C 1.568 2.196 0 C-N-CA 123.306 2.671 . . . . 0.0 116.137 167.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.255 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -68.7 -36.42 78.45 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.323 2.4 pp -65.31 -32.59 58.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 115.826 1.787 . . . . 0.0 115.826 169.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -79.83 -32.09 40.61 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 168.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.353 10.4 tp -69.01 -49.18 65.24 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.495 0 N-CA-C 115.529 1.677 . . . . 0.0 115.529 171.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.6 m -63.01 -43.07 99.76 Favored 'General case' 0 N--CA 1.503 2.213 0 CA-C-N 121.733 2.061 . . . . 0.0 115.114 -177.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.308 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 164.544 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.2 mt -76.85 -15.99 59.55 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 116.347 -1.787 . . . . 0.0 115.696 168.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.752 0 CA-C-N 122.166 2.257 . . . . 0.0 114.533 179.819 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.57 3.95 38.27 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 116.553 2.057 . . . . 0.0 116.553 164.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.853 0 CA-C-N 123.043 2.656 . . . . 0.0 111.952 162.14 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.78 0 C-N-CA 125.054 1.341 . . . . 0.0 114.368 177.065 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -76.35 -44.04 0.27 Allowed 'Trans proline' 0 CA--C 1.562 1.883 0 C-N-CA 123.254 2.636 . . . . 0.0 116.061 167.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -69.59 -29.07 66.52 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.267 80.4 mt -67.12 -43.25 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 CA-C-N 119.463 1.029 . . . . 0.0 113.152 170.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -72.34 -29.7 64.05 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 171.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.3 mt -62.68 -60.27 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 117.283 -1.342 . . . . 0.0 112.951 173.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.8 p -61.64 -42.92 99.56 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -174.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.34 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 165.615 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.7 mt -77.66 -17.96 57.18 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 116.27 -1.824 . . . . 0.0 115.503 167.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.832 0 CA-C-N 122.323 2.329 . . . . 0.0 114.841 177.329 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -91.6 11.31 24.7 Favored 'General case' 0 CA--C 1.571 1.773 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 166.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.834 0 CA-C-N 122.012 2.187 . . . . 0.0 111.59 158.052 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.595 2.704 0 C-N-CA 124.995 1.318 . . . . 0.0 114.124 175.298 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -74.77 -49.83 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.133 0 C-N-CA 123.247 2.632 . . . . 0.0 115.498 165.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.198 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 15.3 p90 -63.38 -33.56 75.82 Favored 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 115.448 1.648 . . . . 0.0 115.448 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.264 46.1 pt -68.14 -37.17 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 171.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -69.06 -42.14 76.67 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 168.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.337 10.8 tt -67.89 -44.62 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.466 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.7 m -61.01 -44.75 96.96 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 121.181 1.81 . . . . 0.0 114.594 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.584 2.278 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 164.311 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mt -76.9 -20.9 55.68 Favored 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 116.431 2.011 . . . . 0.0 116.431 169.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.766 0 CA-C-N 121.37 1.895 . . . . 0.0 114.086 178.697 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -87.47 -2.49 58.66 Favored 'General case' 0 CA--C 1.568 1.65 0 CA-C-O 116.262 -1.827 . . . . 0.0 115.773 168.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.6 2.903 0 CA-C-N 122.617 2.462 . . . . 0.0 113.013 163.129 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.816 0 C-N-CA 124.885 1.274 . . . . 0.0 114.163 176.86 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -78.04 -41.4 0.3 Allowed 'Trans proline' 0 CA--C 1.569 2.236 0 C-N-CA 123.526 2.818 . . . . 0.0 116.454 166.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.207 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -66.62 -38.38 86.84 Favored 'General case' 0 CA--C 1.566 1.563 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.323 0.1 OUTLIER -65.21 -44.81 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 176.554 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -70.55 -34.01 71.77 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 116.458 2.022 . . . . 0.0 116.458 170.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.3 mm -65.74 -56.03 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.395 0 CA-C-O 117.419 -1.277 . . . . 0.0 113.39 175.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.6 p -62.67 -41.22 98.96 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 115.84 1.793 . . . . 0.0 115.84 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.333 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 163.48 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.9 mt -76.58 -14.1 60.02 Favored 'General case' 0 CA--C 1.56 1.327 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 167.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.805 0 CA-C-N 122.314 2.325 . . . . 0.0 115.36 178.566 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -91.41 10.58 27.01 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 166.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.749 0 CA-C-N 122.189 2.268 . . . . 0.0 111.153 156.919 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.758 0 CA-C-N 119.957 1.253 . . . . 0.0 113.732 179.072 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -78.17 -42.74 0.22 Allowed 'Trans proline' 0 CA--C 1.565 2.072 0 CA-C-N 124.504 2.644 . . . . 0.0 115.996 166.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.248 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -65.7 -36.33 83.32 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.3 mm -64.56 -36.46 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 CA-C-O 117.522 -1.227 . . . . 0.0 114.133 170.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -79.41 -28.38 41.77 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 171.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.292 3.1 mp -66.61 -57.31 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 CA-C-O 117.102 -1.428 . . . . 0.0 112.78 172.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.1 m -59.88 -40.66 89.45 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 121.248 1.84 . . . . 0.0 115.295 -173.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.583 2.245 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 165.303 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -75.19 -12.87 60.39 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-O 115.748 -2.073 . . . . 0.0 116.508 167.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.826 0 CA-C-N 123.46 2.845 . . . . 0.0 114.984 -178.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -91.99 9.39 33.38 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 170.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.601 2.908 0 CA-C-N 122.689 2.495 . . . . 0.0 111.664 161.238 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.725 0 C-N-CA 125.029 1.331 . . . . 0.0 114.155 177.897 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -76.11 -43.34 0.32 Allowed 'Trans proline' 0 CA--C 1.564 1.994 0 CA-C-N 124.451 2.625 . . . . 0.0 116.168 168.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.239 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 9.3 t-105 -67.95 -17.65 64.51 Favored 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.324 2.3 pp -61.58 -30.6 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 165.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -71.26 -45.18 63.77 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 167.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.316 13.5 tt -69.29 -46.15 77.73 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.468 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 175.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.4 m -60.44 -44.57 95.69 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-N 121.201 1.819 . . . . 0.0 114.559 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.248 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 164.711 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.6 mt -77.45 -15.58 59.24 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 169.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.799 0 CA-C-N 122.135 2.243 . . . . 0.0 114.535 -178.061 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -96.74 12.35 32.28 Favored 'General case' 0 CA--C 1.57 1.725 0 CA-C-O 116.681 -1.628 . . . . 0.0 115.359 169.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.778 0 CA-C-N 122.548 2.431 . . . . 0.0 111.423 155.755 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.852 0 CA-C-O 117.629 -1.176 . . . . 0.0 113.81 178.143 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -75.23 -43.17 0.4 Allowed 'Trans proline' 0 CA--C 1.569 2.232 0 CA-C-N 124.547 2.66 . . . . 0.0 115.979 168.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.167 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -70.15 -42.88 71.94 Favored 'General case' 0 CA--C 1.566 1.591 0 O-C-N 124.258 0.974 . . . . 0.0 113.189 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.287 2.4 pp -61.83 -35.75 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 167.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -69.3 -44.03 72.59 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 171.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.361 13.3 tt -70.35 -43.97 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 178.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.1 m -57.7 -44.63 86.03 Favored 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 121.483 1.947 . . . . 0.0 114.749 176.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.582 2.189 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 165.477 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.66 -14.89 59.93 Favored 'General case' 0 CA--C 1.557 1.241 0 N-CA-C 116.376 1.991 . . . . 0.0 116.376 169.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.804 0 CA-C-N 122.189 2.268 . . . . 0.0 114.96 -178.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -95.76 9.78 39.26 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 169.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.846 0 CA-C-N 122.154 2.252 . . . . 0.0 111.104 156.251 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.74 0 CA-C-N 120.14 1.336 . . . . 0.0 113.312 -178.343 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -77.82 -42.5 0.25 Allowed 'Trans proline' 0 CA--C 1.565 2.037 0 CA-C-N 124.537 2.656 . . . . 0.0 116.139 167.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.288 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 19.7 t-105 -68.06 -18.91 64.81 Favored 'General case' 0 CA--C 1.569 1.689 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.25 31.9 pt -57.7 -34.74 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 116.346 1.98 . . . . 0.0 116.346 164.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -71.44 -44.02 65.62 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 171.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.303 14.0 tt -69.97 -45.01 78.02 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.381 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.7 m -61.22 -44.22 97.62 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-N 120.928 1.694 . . . . 0.0 114.357 178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.582 2.182 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 165.367 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.7 mt -79.28 -16.21 56.78 Favored 'General case' 0 CA--C 1.561 1.372 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 169.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.764 0 CA-C-N 122.003 2.183 . . . . 0.0 115.103 -179.185 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -100.07 19.8 15.65 Favored 'General case' 0 CA--C 1.571 1.755 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 170.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.771 0 CA-C-N 121.729 2.059 . . . . 0.0 110.84 152.046 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.717 0 CA-C-O 117.451 -1.261 . . . . 0.0 113.816 -179.841 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -77.95 -39.74 0.45 Allowed 'Trans proline' 0 CA--C 1.566 2.086 0 CA-C-N 124.552 2.661 . . . . 0.0 116.577 168.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 76.1 m95 -69.13 -38.74 79.0 Favored 'General case' 0 CA--C 1.566 1.574 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.252 78.2 mt -63.99 -40.24 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 169.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.83 -42.29 90.72 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 115.27 1.582 . . . . 0.0 115.27 171.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.355 11.9 tt -68.39 -46.02 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 175.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.9 m -59.85 -46.56 88.9 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 121.121 1.782 . . . . 0.0 114.722 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.204 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 165.422 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.9 mt -76.8 -19.08 57.98 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 169.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.763 0 CA-C-N 122.031 2.196 . . . . 0.0 114.704 -177.516 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -93.8 6.02 49.76 Favored 'General case' 0 CA--C 1.568 1.673 0 CA-C-O 116.33 -1.795 . . . . 0.0 115.697 172.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.83 0 CA-C-N 122.732 2.515 . . . . 0.0 112.213 159.574 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.814 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 178.046 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.98 -42.62 0.24 Allowed 'Trans proline' 0 CA--C 1.568 2.22 0 C-N-CA 123.52 2.813 . . . . 0.0 116.194 167.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.251 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -66.7 -24.51 66.26 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.6 mm -63.16 -42.58 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 167.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -62.72 -43.0 99.93 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 171.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.34 9.3 tp -69.1 -43.19 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 N-CA-C 115.605 1.705 . . . . 0.0 115.605 177.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.1 m -60.05 -45.38 93.03 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 121.118 1.781 . . . . 0.0 114.289 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.582 2.179 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 165.55 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.9 mt -77.71 -17.12 57.95 Favored 'General case' 0 CA--C 1.559 1.298 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 169.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.761 0 CA-C-N 121.832 2.106 . . . . 0.0 114.849 -178.592 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -93.41 11.92 26.7 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 169.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.829 0 CA-C-N 122.467 2.394 . . . . 0.0 110.981 158.664 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.733 0 CA-C-O 117.505 -1.236 . . . . 0.0 113.901 178.66 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -75.95 -45.19 0.24 Allowed 'Trans proline' 0 CA--C 1.565 2.065 0 CA-C-N 124.515 2.648 . . . . 0.0 115.858 166.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.268 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -68.48 -14.53 63.07 Favored 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.291 14.6 tt -61.44 -40.85 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 164.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -73.57 -31.66 63.73 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 172.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.3 mm -64.4 -54.2 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.476 0 C-N-CA 124.873 1.269 . . . . 0.0 114.04 174.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.9 m -59.96 -44.9 94.15 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 120.984 1.72 . . . . 0.0 114.705 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.583 2.246 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 166.11 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.6 mt -78.27 -12.03 59.97 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 169.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.776 0 CA-C-N 122.26 2.3 . . . . 0.0 114.969 -178.823 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -91.55 9.03 33.79 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 169.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.788 0 CA-C-N 122.745 2.521 . . . . 0.0 111.852 160.192 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.599 2.832 0 C-N-CA 124.96 1.304 . . . . 0.0 114.136 177.564 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -78.47 -41.38 0.27 Allowed 'Trans proline' 0 CA--C 1.566 2.076 0 C-N-CA 123.36 2.706 . . . . 0.0 116.316 167.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -63.22 -36.19 82.82 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.285 48.3 mm -67.84 -41.96 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -75.14 -26.75 59.41 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 169.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.31 42.4 pt -68.76 -50.1 58.14 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.419 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 175.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.3 m -62.24 -44.96 95.36 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-N 120.755 1.616 . . . . 0.0 114.685 -175.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.333 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 165.503 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -76.93 -15.2 59.74 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-O 116.321 -1.799 . . . . 0.0 115.674 169.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.756 0 CA-C-N 122.218 2.281 . . . . 0.0 115.142 179.671 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -92.14 7.5 42.18 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 170.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.759 0 CA-C-N 122.845 2.566 . . . . 0.0 111.876 160.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.6 2.868 0 C-N-CA 124.869 1.268 . . . . 0.0 114.086 178.602 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -77.39 -41.15 0.36 Allowed 'Trans proline' 0 CA--C 1.567 2.145 0 C-N-CA 123.444 2.763 . . . . 0.0 116.292 167.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.283 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.258 3.1 p-90 -66.27 -30.37 70.79 Favored 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.8 pt -55.96 -28.41 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 117.292 2.33 . . . . 0.0 117.292 165.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -74.11 -46.03 45.35 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.3 mm -68.23 -53.06 31.67 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.564 0 CA-C-O 117.006 -1.473 . . . . 0.0 113.311 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 55.5 m -59.04 -44.41 91.76 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-N 121.371 1.896 . . . . 0.0 114.76 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.244 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 166.289 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.5 mt -77.93 -18.12 56.44 Favored 'General case' 0 CA--C 1.558 1.274 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 168.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.596 2.736 0 CA-C-N 122.032 2.196 . . . . 0.0 114.83 -178.23 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.22 10.0 33.74 Favored 'General case' 0 CA--C 1.569 1.674 0 N-CA-C 115.88 1.808 . . . . 0.0 115.88 168.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.78 0 CA-C-N 122.487 2.403 . . . . 0.0 111.763 158.421 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.779 0 C-N-CA 124.828 1.251 . . . . 0.0 113.975 178.432 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -77.1 -47.88 0.12 Allowed 'Trans proline' 0 CA--C 1.565 2.042 0 C-N-CA 123.303 2.669 . . . . 0.0 115.691 167.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -68.48 -45.86 71.27 Favored 'General case' 0 CA--C 1.566 1.582 0 O-C-N 124.326 1.016 . . . . 0.0 112.936 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.318 10.6 tp -64.24 -35.03 72.74 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.604 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 169.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -67.82 -44.16 77.92 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 168.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.336 0.0 OUTLIER -65.55 -49.91 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-O 117.35 -1.31 . . . . 0.0 114.46 174.501 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.0 m -57.75 -47.58 82.06 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 121.117 1.78 . . . . 0.0 114.924 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.174 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 166.79 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.0 mt -76.13 -19.74 58.23 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 116.262 -1.828 . . . . 0.0 115.722 169.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.77 0 CA-C-N 122.245 2.293 . . . . 0.0 114.437 -179.461 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -94.39 9.39 38.5 Favored 'General case' 0 CA--C 1.572 1.804 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 170.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.598 2.806 0 CA-C-N 122.709 2.504 . . . . 0.0 111.503 159.11 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.597 2.783 0 CA-C-O 117.501 -1.237 . . . . 0.0 113.338 178.417 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -76.26 -48.36 0.14 Allowed 'Trans proline' 0 CA--C 1.566 2.081 0 C-N-CA 123.47 2.78 . . . . 0.0 115.537 168.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_