data_1rvs_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 1rvs _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.823 0.344 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 m -119.91 131.12 55.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.769 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.3 mt -141.92 138.67 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 121.214 0.53 . . . . 0.0 111.383 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.33 139.85 47.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.473 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.2 133.13 34.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.706 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -126.7 123.16 36.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.405 ' HA ' HD21 ' A' ' 7' ' ' LEU . 81.3 mt -131.06 119.32 21.83 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.179 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.47 105.47 33.4 Favored Pre-proline 0 N--CA 1.442 -0.869 0 CA-C-O 121.464 0.649 . . . . 0.0 109.543 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -74.64 142.82 29.56 Favored 'Trans proline' 0 C--N 1.329 -0.451 0 C-N-CA 123.384 2.723 . . . . 0.0 112.456 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -132.14 153.03 50.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.735 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.851 0.358 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -100.88 140.19 35.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.989 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 mt -134.76 138.47 49.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -135.06 134.91 40.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.408 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.25 128.1 20.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.624 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.0 tp -105.51 121.1 43.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 0.0 111.28 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.4 ' HA ' HD21 ' A' ' 7' ' ' LEU . 80.2 mt -131.44 119.26 21.37 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.108 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.5 105.43 56.06 Favored Pre-proline 0 N--CA 1.441 -0.905 0 CA-C-O 121.433 0.635 . . . . 0.0 109.824 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.82 143.18 85.38 Favored 'Trans proline' 0 C--N 1.328 -0.52 0 C-N-CA 123.404 2.736 . . . . 0.0 112.201 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -123.76 129.88 51.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.928 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.799 0.333 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.7 m -101.44 124.82 47.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.701 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.0 mt -105.02 138.12 31.31 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.256 0.55 . . . . 0.0 111.365 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.7 137.43 46.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.247 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.38 121.93 23.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.045 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.9 tp -129.07 127.44 41.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.725 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.7 mt -126.83 120.22 28.73 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.403 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.0 p -101.77 105.61 42.21 Favored Pre-proline 0 N--CA 1.441 -0.905 0 CA-C-O 121.448 0.642 . . . . 0.0 109.846 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.75 136.17 14.96 Favored 'Trans proline' 0 C--N 1.329 -0.493 0 C-N-CA 123.452 2.768 . . . . 0.0 112.652 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -126.03 124.84 41.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.757 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 p . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.796 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.815 0.34 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 m -111.97 134.79 53.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 mt -121.78 138.39 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.143 0.497 . . . . 0.0 111.439 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -116.92 125.57 51.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.315 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -131.39 111.12 11.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.4 tp -120.04 118.96 31.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.115 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.404 ' HA ' HD22 ' A' ' 7' ' ' LEU . 78.6 mt -123.19 119.72 31.06 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.073 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.22 105.28 56.93 Favored Pre-proline 0 N--CA 1.442 -0.857 0 CA-C-O 121.526 0.679 . . . . 0.0 109.997 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -84.94 142.6 8.96 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 123.7 2.933 . . . . 0.0 112.388 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.7 142.18 41.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.984 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.813 0.339 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 m -119.21 136.25 54.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.9 mt -132.68 138.32 52.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.996 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.84 137.72 46.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.148 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -117.0 139.11 51.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.5 tp -114.74 120.22 39.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.256 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.4 mt -136.55 119.79 16.73 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.151 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.6 105.55 17.25 Favored Pre-proline 0 N--CA 1.441 -0.893 0 CA-C-O 121.517 0.675 . . . . 0.0 110.024 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -78.29 136.01 13.95 Favored 'Trans proline' 0 C--N 1.329 -0.46 0 C-N-CA 123.492 2.795 . . . . 0.0 112.361 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -128.65 152.15 48.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 0.0 110.971 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.92 179.854 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 120.859 0.361 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.9 m -135.66 133.94 38.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.7 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.8 mt -138.45 138.35 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.052 0.453 . . . . 0.0 111.382 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.71 120.89 34.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.314 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.04 130.83 24.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.858 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.1 tp -119.03 107.45 13.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.069 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.54 119.81 28.07 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.139 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 p -106.65 105.38 54.65 Favored Pre-proline 0 N--CA 1.44 -0.93 0 CA-C-O 121.475 0.655 . . . . 0.0 109.996 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.28 145.23 21.3 Favored 'Trans proline' 0 C--N 1.327 -0.56 0 C-N-CA 123.467 2.778 . . . . 0.0 112.301 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.98 125.16 21.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.772 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.961 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 120.791 0.329 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.6 m -112.7 134.77 54.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.764 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 mt -125.42 138.27 54.95 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 121.285 0.564 . . . . 0.0 111.615 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.99 123.46 45.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.7 132.62 40.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.344 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.8 tp -119.53 131.69 55.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.9 mt -101.64 119.8 39.33 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.698 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.403 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -112.11 105.67 56.31 Favored Pre-proline 0 N--CA 1.44 -0.955 0 CA-C-O 121.392 0.615 . . . . 0.0 109.499 179.76 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 50.4 Cg_endo -71.85 140.63 35.59 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 C-N-CA 123.365 2.71 . . . . 0.0 112.432 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -135.23 131.63 36.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.737 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.966 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.838 0.351 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 m -115.64 137.14 52.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.763 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.5 mt -120.29 138.54 50.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-O 121.187 0.518 . . . . 0.0 111.392 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -134.76 134.29 40.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.299 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.51 138.58 53.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.3 tp -126.54 103.6 7.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.935 0.398 . . . . 0.0 111.22 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.2 mt -134.77 119.29 18.02 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.079 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -120.99 105.46 40.24 Favored Pre-proline 0 N--CA 1.44 -0.932 0 CA-C-O 121.537 0.684 . . . . 0.0 109.971 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.54 137.14 11.4 Favored 'Trans proline' 0 C--N 1.329 -0.454 0 C-N-CA 123.498 2.799 . . . . 0.0 112.213 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -109.79 137.45 47.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.983 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.748 0.309 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 m -116.22 131.33 56.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.479 HG23 ' N ' ' A' ' 4' ' ' ALA . 63.0 mt -138.82 137.89 42.41 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 121.262 0.553 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.479 ' N ' HG23 ' A' ' 3' ' ' ILE . . . -123.07 127.39 48.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.278 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.95 118.76 11.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -121.9 134.41 54.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 7' ' ' LEU . 81.8 mt -108.05 120.18 41.58 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.576 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.69 105.61 43.15 Favored Pre-proline 0 N--CA 1.442 -0.837 0 CA-C-O 121.541 0.686 . . . . 0.0 109.945 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -51.42 144.3 32.13 Favored 'Trans proline' 0 C--N 1.329 -0.467 0 C-N-CA 123.434 2.756 . . . . 0.0 112.427 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -112.76 133.74 54.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.908 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.777 0.322 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.6 m -137.23 139.41 41.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.4 mt -135.63 138.36 48.13 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-O 121.25 0.548 . . . . 0.0 111.131 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.21 137.92 54.46 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.381 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.09 127.69 34.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.976 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.5 tp -111.2 135.39 51.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.024 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.0 mt -110.31 119.72 40.13 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.25 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.6 m -127.54 105.6 21.24 Favored Pre-proline 0 N--CA 1.442 -0.87 0 CA-C-O 121.478 0.656 . . . . 0.0 109.942 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.74 134.58 12.21 Favored 'Trans proline' 0 C--N 1.327 -0.558 0 C-N-CA 123.513 2.809 . . . . 0.0 112.257 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.21 142.52 51.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.928 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.833 0.349 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.2 m -103.3 122.83 45.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.1 mt -140.47 137.51 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.174 0.512 . . . . 0.0 111.195 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.76 129.27 55.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.095 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.55 125.42 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.2 tp -120.43 115.38 23.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.4 mt -121.04 119.74 33.36 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.357 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.55 105.57 57.36 Favored Pre-proline 0 N--CA 1.44 -0.969 0 CA-C-O 121.51 0.671 . . . . 0.0 109.808 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.85 140.29 14.41 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 123.441 2.761 . . . . 0.0 112.531 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -104.92 143.2 33.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.636 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.962 -179.72 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 120.792 0.329 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 m -119.79 140.11 51.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.726 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.3 mt -117.77 137.62 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.163 0.506 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.5 125.2 22.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.2 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -120.62 118.37 29.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.132 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.6 tp -130.12 113.92 15.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.728 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 7' ' ' LEU . 86.2 mt -128.03 119.33 25.2 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.146 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.56 105.5 48.02 Favored Pre-proline 0 N--CA 1.441 -0.877 0 CA-C-O 121.619 0.723 . . . . 0.0 110.016 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -80.89 129.85 7.25 Favored 'Trans proline' 0 C--N 1.329 -0.462 0 C-N-CA 123.698 2.932 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -139.59 129.32 24.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.002 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.826 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 120.807 0.337 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.1 m -120.03 134.92 55.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.623 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.0 mt -131.96 138.51 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.057 0.456 . . . . 0.0 111.342 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.85 126.23 54.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.195 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.1 121.15 13.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 tp -129.35 128.62 43.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.742 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.5 mt -99.82 120.1 39.22 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.712 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.9 m -101.01 105.65 39.86 Favored Pre-proline 0 N--CA 1.44 -0.97 0 CA-C-O 121.504 0.669 . . . . 0.0 109.573 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -70.7 139.9 37.98 Favored 'Trans proline' 0 C--N 1.33 -0.436 0 C-N-CA 123.167 2.578 . . . . 0.0 112.495 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -102.06 144.85 30.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.958 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.829 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.836 0.351 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 m -105.28 137.66 42.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.754 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.1 mt -116.88 138.0 48.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.042 0.448 . . . . 0.0 111.328 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.97 133.18 35.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.03 112.48 11.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.9 tp -127.77 131.3 49.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 66.7 mt -113.33 119.67 38.48 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.84 105.76 46.72 Favored Pre-proline 0 N--CA 1.441 -0.916 0 CA-C-O 121.479 0.657 . . . . 0.0 109.917 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.67 134.71 20.66 Favored 'Trans proline' 0 C--N 1.328 -0.534 0 C-N-CA 123.255 2.637 . . . . 0.0 112.431 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -136.88 125.47 23.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.721 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.01 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.828 0.347 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.5 m -116.88 129.23 55.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.594 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 56.4 mt -141.35 138.18 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.239 0.543 . . . . 0.0 111.235 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.12 137.45 53.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.027 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.67 125.69 19.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.382 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.9 tp -121.23 124.93 45.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.688 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.6 mt -126.4 119.86 28.33 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.586 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.41 105.48 39.06 Favored Pre-proline 0 N--CA 1.443 -0.825 0 CA-C-O 121.516 0.674 . . . . 0.0 109.797 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -66.07 144.4 75.6 Favored 'Trans proline' 0 C--N 1.33 -0.41 0 C-N-CA 123.689 2.926 . . . . 0.0 112.513 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.37 143.52 50.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.972 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.3 m -109.96 125.77 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.798 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.5 mt -134.79 138.57 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.063 0.458 . . . . 0.0 111.474 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.93 126.58 41.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.283 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -124.08 114.22 19.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.798 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.9 tp -128.5 128.8 45.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.183 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.4 mt -120.65 119.79 33.86 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.441 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.23 105.51 53.95 Favored Pre-proline 0 N--CA 1.44 -0.938 0 CA-C-O 121.456 0.646 . . . . 0.0 109.83 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -79.61 145.2 18.18 Favored 'Trans proline' 0 C--N 1.327 -0.585 0 C-N-CA 123.436 2.757 . . . . 0.0 112.382 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -131.64 124.43 29.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.812 0.339 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.0 m -116.11 136.81 52.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.757 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 4' ' ' ALA . 43.2 mt -137.57 137.73 45.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.242 0.544 . . . . 0.0 110.826 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.48 ' N ' HG22 ' A' ' 3' ' ' ILE . . . -97.58 132.56 43.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.061 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.0 125.65 28.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.6 tp -104.98 136.31 44.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.9 mt -109.66 119.76 40.4 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.398 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.67 105.54 57.21 Favored Pre-proline 0 N--CA 1.441 -0.877 0 CA-C-O 121.535 0.683 . . . . 0.0 109.842 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -72.22 140.15 33.52 Favored 'Trans proline' 0 C--N 1.329 -0.483 0 C-N-CA 123.251 2.634 . . . . 0.0 112.096 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.46 153.12 33.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.831 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.845 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.745 0.307 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 m -112.65 136.09 52.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 56.1 mt -116.21 138.22 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.242 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.51 125.65 31.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.99 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -124.14 125.41 44.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.9 tp -101.64 134.85 44.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.72 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.1 mt -114.4 119.88 38.4 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.551 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.9 p -130.16 105.62 16.4 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-O 121.493 0.664 . . . . 0.0 109.819 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.91 143.11 92.79 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 C-N-CA 123.427 2.751 . . . . 0.0 112.278 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.52 143.96 51.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.881 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.925 0.393 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 m -116.46 132.56 56.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.729 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.1 mt -131.65 138.12 53.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.08 0.467 . . . . 0.0 111.487 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.99 122.26 47.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.111 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -120.87 138.2 54.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.6 tp -111.79 121.13 44.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.9 mt -112.76 119.56 38.46 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.1 105.57 54.15 Favored Pre-proline 0 N--CA 1.442 -0.874 0 CA-C-O 121.533 0.682 . . . . 0.0 109.837 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -74.88 140.79 26.22 Favored 'Trans proline' 0 C--N 1.328 -0.512 0 C-N-CA 123.481 2.788 . . . . 0.0 112.383 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -106.31 138.43 42.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.4 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.933 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.749 0.309 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 m -103.18 126.04 50.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.9 mt -104.09 138.08 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.225 0.536 . . . . 0.0 111.238 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -103.84 128.92 51.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.148 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -117.25 138.16 51.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.918 0.389 . . . . 0.0 111.346 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.3 tp -108.1 119.53 39.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.0 mt -132.03 119.82 21.56 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.367 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.75 105.52 35.35 Favored Pre-proline 0 N--CA 1.442 -0.839 0 CA-C-O 121.57 0.7 . . . . 0.0 109.904 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -77.82 137.79 16.24 Favored 'Trans proline' 0 C--N 1.33 -0.416 0 C-N-CA 123.516 2.81 . . . . 0.0 112.531 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -111.88 140.33 46.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.165 -179.755 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.823 0.344 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 m -119.91 131.12 55.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.769 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.3 mt -141.92 138.67 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 121.214 0.53 . . . . 0.0 111.383 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.33 139.85 47.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.473 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.2 133.13 34.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.706 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.482 ' O ' HD23 ' A' ' 7' ' ' LEU . 61.2 tp -126.7 123.16 36.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 6' ' ' LEU . 81.3 mt -131.06 119.32 21.83 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.179 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.47 105.47 33.4 Favored Pre-proline 0 N--CA 1.442 -0.869 0 CA-C-O 121.464 0.649 . . . . 0.0 109.543 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -74.64 142.82 29.56 Favored 'Trans proline' 0 C--N 1.329 -0.451 0 C-N-CA 123.384 2.723 . . . . 0.0 112.456 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -132.14 153.03 50.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.735 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.851 0.358 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -100.88 140.19 35.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.989 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 mt -134.76 138.47 49.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -135.06 134.91 40.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.408 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.25 128.1 20.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.624 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 7' ' ' LEU . 38.0 tp -105.51 121.1 43.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 0.0 111.28 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 6' ' ' LEU . 80.2 mt -131.44 119.26 21.37 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.108 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.5 105.43 56.06 Favored Pre-proline 0 N--CA 1.441 -0.905 0 CA-C-O 121.433 0.635 . . . . 0.0 109.824 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.82 143.18 85.38 Favored 'Trans proline' 0 C--N 1.328 -0.52 0 C-N-CA 123.404 2.736 . . . . 0.0 112.201 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -123.76 129.88 51.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.928 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.799 0.333 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.7 m -101.44 124.82 47.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.701 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.0 mt -105.02 138.12 31.31 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.256 0.55 . . . . 0.0 111.365 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.7 137.43 46.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.247 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.38 121.93 23.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.045 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.9 tp -129.07 127.44 41.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.725 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 79.7 mt -126.83 120.22 28.73 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.403 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.0 p -101.77 105.61 42.21 Favored Pre-proline 0 N--CA 1.441 -0.905 0 CA-C-O 121.448 0.642 . . . . 0.0 109.846 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 7' ' ' LEU . 73.4 Cg_endo -77.75 136.17 14.96 Favored 'Trans proline' 0 C--N 1.329 -0.493 0 C-N-CA 123.452 2.768 . . . . 0.0 112.652 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -126.03 124.84 41.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.757 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 p . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.796 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.815 0.34 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 m -111.97 134.79 53.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 mt -121.78 138.39 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.143 0.497 . . . . 0.0 111.439 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -116.92 125.57 51.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.315 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -131.39 111.12 11.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.4 tp -120.04 118.96 31.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.115 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.6 mt -123.19 119.72 31.06 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.073 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.22 105.28 56.93 Favored Pre-proline 0 N--CA 1.442 -0.857 0 CA-C-O 121.526 0.679 . . . . 0.0 109.997 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -84.94 142.6 8.96 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 123.7 2.933 . . . . 0.0 112.388 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.7 142.18 41.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.984 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.813 0.339 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 m -119.21 136.25 54.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.9 mt -132.68 138.32 52.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.996 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.84 137.72 46.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.148 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -117.0 139.11 51.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 7' ' ' LEU . 40.5 tp -114.74 120.22 39.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.256 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 6' ' ' LEU . 77.4 mt -136.55 119.79 16.73 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.151 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.6 105.55 17.25 Favored Pre-proline 0 N--CA 1.441 -0.893 0 CA-C-O 121.517 0.675 . . . . 0.0 110.024 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -78.29 136.01 13.95 Favored 'Trans proline' 0 C--N 1.329 -0.46 0 C-N-CA 123.492 2.795 . . . . 0.0 112.361 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -128.65 152.15 48.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 0.0 110.971 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.92 179.854 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 120.859 0.361 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.9 m -135.66 133.94 38.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.7 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.8 mt -138.45 138.35 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.052 0.453 . . . . 0.0 111.382 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.71 120.89 34.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.314 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.04 130.83 24.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.858 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.1 tp -119.03 107.45 13.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.069 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.54 119.81 28.07 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.139 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 p -106.65 105.38 54.65 Favored Pre-proline 0 N--CA 1.44 -0.93 0 CA-C-O 121.475 0.655 . . . . 0.0 109.996 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.28 145.23 21.3 Favored 'Trans proline' 0 C--N 1.327 -0.56 0 C-N-CA 123.467 2.778 . . . . 0.0 112.301 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.98 125.16 21.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.772 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.961 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 120.791 0.329 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.6 m -112.7 134.77 54.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.764 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 mt -125.42 138.27 54.95 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 121.285 0.564 . . . . 0.0 111.615 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.99 123.46 45.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.7 132.62 40.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.344 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.8 tp -119.53 131.69 55.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.9 mt -101.64 119.8 39.33 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.698 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.431 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -112.11 105.67 56.31 Favored Pre-proline 0 N--CA 1.44 -0.955 0 CA-C-O 121.392 0.615 . . . . 0.0 109.499 179.76 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 50.4 Cg_endo -71.85 140.63 35.59 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 C-N-CA 123.365 2.71 . . . . 0.0 112.432 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -135.23 131.63 36.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.737 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.966 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.838 0.351 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 m -115.64 137.14 52.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.763 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.5 mt -120.29 138.54 50.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-O 121.187 0.518 . . . . 0.0 111.392 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -134.76 134.29 40.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.299 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.51 138.58 53.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.581 ' O ' HD23 ' A' ' 7' ' ' LEU . 22.3 tp -126.54 103.6 7.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.935 0.398 . . . . 0.0 111.22 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 6' ' ' LEU . 75.2 mt -134.77 119.29 18.02 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.079 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -120.99 105.46 40.24 Favored Pre-proline 0 N--CA 1.44 -0.932 0 CA-C-O 121.537 0.684 . . . . 0.0 109.971 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.54 137.14 11.4 Favored 'Trans proline' 0 C--N 1.329 -0.454 0 C-N-CA 123.498 2.799 . . . . 0.0 112.213 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -109.79 137.45 47.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.983 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.748 0.309 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 m -116.22 131.33 56.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 63.0 mt -138.82 137.89 42.41 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 121.262 0.553 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.07 127.39 48.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.278 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.95 118.76 11.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -121.9 134.41 54.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.8 mt -108.05 120.18 41.58 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.576 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.69 105.61 43.15 Favored Pre-proline 0 N--CA 1.442 -0.837 0 CA-C-O 121.541 0.686 . . . . 0.0 109.945 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -51.42 144.3 32.13 Favored 'Trans proline' 0 C--N 1.329 -0.467 0 C-N-CA 123.434 2.756 . . . . 0.0 112.427 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -112.76 133.74 54.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.908 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.777 0.322 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.6 m -137.23 139.41 41.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.4 mt -135.63 138.36 48.13 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-O 121.25 0.548 . . . . 0.0 111.131 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.21 137.92 54.46 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.381 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.09 127.69 34.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.976 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.5 tp -111.2 135.39 51.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.024 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.0 mt -110.31 119.72 40.13 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.25 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.6 m -127.54 105.6 21.24 Favored Pre-proline 0 N--CA 1.442 -0.87 0 CA-C-O 121.478 0.656 . . . . 0.0 109.942 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.74 134.58 12.21 Favored 'Trans proline' 0 C--N 1.327 -0.558 0 C-N-CA 123.513 2.809 . . . . 0.0 112.257 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.21 142.52 51.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.928 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.833 0.349 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.2 m -103.3 122.83 45.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.1 mt -140.47 137.51 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.174 0.512 . . . . 0.0 111.195 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.76 129.27 55.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.095 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.55 125.42 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.2 tp -120.43 115.38 23.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.4 mt -121.04 119.74 33.36 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.357 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.55 105.57 57.36 Favored Pre-proline 0 N--CA 1.44 -0.969 0 CA-C-O 121.51 0.671 . . . . 0.0 109.808 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.85 140.29 14.41 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 123.441 2.761 . . . . 0.0 112.531 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -104.92 143.2 33.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.636 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.962 -179.72 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 120.792 0.329 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 m -119.79 140.11 51.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.726 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.3 mt -117.77 137.62 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.163 0.506 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.5 125.2 22.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.2 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -120.62 118.37 29.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.132 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.6 tp -130.12 113.92 15.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.728 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.2 mt -128.03 119.33 25.2 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.146 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.56 105.5 48.02 Favored Pre-proline 0 N--CA 1.441 -0.877 0 CA-C-O 121.619 0.723 . . . . 0.0 110.016 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -80.89 129.85 7.25 Favored 'Trans proline' 0 C--N 1.329 -0.462 0 C-N-CA 123.698 2.932 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -139.59 129.32 24.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.002 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.826 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 120.807 0.337 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.1 m -120.03 134.92 55.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.623 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.0 mt -131.96 138.51 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.057 0.456 . . . . 0.0 111.342 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.85 126.23 54.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.195 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.1 121.15 13.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 tp -129.35 128.62 43.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.742 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.5 mt -99.82 120.1 39.22 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.712 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 72.9 m -101.01 105.65 39.86 Favored Pre-proline 0 N--CA 1.44 -0.97 0 CA-C-O 121.504 0.669 . . . . 0.0 109.573 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 40.2 Cg_endo -70.7 139.9 37.98 Favored 'Trans proline' 0 C--N 1.33 -0.436 0 C-N-CA 123.167 2.578 . . . . 0.0 112.495 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -102.06 144.85 30.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.958 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.829 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.836 0.351 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 m -105.28 137.66 42.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.754 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.1 mt -116.88 138.0 48.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.042 0.448 . . . . 0.0 111.328 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.97 133.18 35.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.03 112.48 11.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.9 tp -127.77 131.3 49.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 66.7 mt -113.33 119.67 38.48 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.84 105.76 46.72 Favored Pre-proline 0 N--CA 1.441 -0.916 0 CA-C-O 121.479 0.657 . . . . 0.0 109.917 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.67 134.71 20.66 Favored 'Trans proline' 0 C--N 1.328 -0.534 0 C-N-CA 123.255 2.637 . . . . 0.0 112.431 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -136.88 125.47 23.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.721 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.01 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.828 0.347 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.5 m -116.88 129.23 55.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.594 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 56.4 mt -141.35 138.18 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.239 0.543 . . . . 0.0 111.235 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.12 137.45 53.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.027 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.67 125.69 19.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.382 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.9 tp -121.23 124.93 45.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.688 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.6 mt -126.4 119.86 28.33 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.586 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.41 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -121.41 105.48 39.06 Favored Pre-proline 0 N--CA 1.443 -0.825 0 CA-C-O 121.516 0.674 . . . . 0.0 109.797 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 8' ' ' SER . 21.2 Cg_exo -66.07 144.4 75.6 Favored 'Trans proline' 0 C--N 1.33 -0.41 0 C-N-CA 123.689 2.926 . . . . 0.0 112.513 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.37 143.52 50.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.972 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.3 m -109.96 125.77 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.798 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.5 mt -134.79 138.57 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.063 0.458 . . . . 0.0 111.474 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.93 126.58 41.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.283 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -124.08 114.22 19.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.798 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.9 tp -128.5 128.8 45.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.183 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.4 mt -120.65 119.79 33.86 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.441 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.23 105.51 53.95 Favored Pre-proline 0 N--CA 1.44 -0.938 0 CA-C-O 121.456 0.646 . . . . 0.0 109.83 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -79.61 145.2 18.18 Favored 'Trans proline' 0 C--N 1.327 -0.585 0 C-N-CA 123.436 2.757 . . . . 0.0 112.382 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -131.64 124.43 29.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.812 0.339 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.0 m -116.11 136.81 52.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.757 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 mt -137.57 137.73 45.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.242 0.544 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.58 132.56 43.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.061 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.0 125.65 28.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.6 tp -104.98 136.31 44.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.9 mt -109.66 119.76 40.4 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.398 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.424 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -110.67 105.54 57.21 Favored Pre-proline 0 N--CA 1.441 -0.877 0 CA-C-O 121.535 0.683 . . . . 0.0 109.842 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 43.8 Cg_endo -72.22 140.15 33.52 Favored 'Trans proline' 0 C--N 1.329 -0.483 0 C-N-CA 123.251 2.634 . . . . 0.0 112.096 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.46 153.12 33.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.831 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.845 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.745 0.307 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 m -112.65 136.09 52.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 56.1 mt -116.21 138.22 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.242 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.51 125.65 31.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.99 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -124.14 125.41 44.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.9 tp -101.64 134.85 44.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.72 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.1 mt -114.4 119.88 38.4 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.551 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.9 p -130.16 105.62 16.4 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-O 121.493 0.664 . . . . 0.0 109.819 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.91 143.11 92.79 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 C-N-CA 123.427 2.751 . . . . 0.0 112.278 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.52 143.96 51.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.881 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.925 0.393 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 m -116.46 132.56 56.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.729 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.1 mt -131.65 138.12 53.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.08 0.467 . . . . 0.0 111.487 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.99 122.26 47.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.111 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -120.87 138.2 54.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.6 tp -111.79 121.13 44.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.9 mt -112.76 119.56 38.46 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.1 105.57 54.15 Favored Pre-proline 0 N--CA 1.442 -0.874 0 CA-C-O 121.533 0.682 . . . . 0.0 109.837 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -74.88 140.79 26.22 Favored 'Trans proline' 0 C--N 1.328 -0.512 0 C-N-CA 123.481 2.788 . . . . 0.0 112.383 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -106.31 138.43 42.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.4 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.933 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.749 0.309 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 m -103.18 126.04 50.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.9 mt -104.09 138.08 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.225 0.536 . . . . 0.0 111.238 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -103.84 128.92 51.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.148 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -117.25 138.16 51.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.918 0.389 . . . . 0.0 111.346 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.524 ' O ' HD23 ' A' ' 7' ' ' LEU . 54.3 tp -108.1 119.53 39.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 6' ' ' LEU . 79.0 mt -132.03 119.82 21.56 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.367 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.75 105.52 35.35 Favored Pre-proline 0 N--CA 1.442 -0.839 0 CA-C-O 121.57 0.7 . . . . 0.0 109.904 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -77.82 137.79 16.24 Favored 'Trans proline' 0 C--N 1.33 -0.416 0 C-N-CA 123.516 2.81 . . . . 0.0 112.531 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -111.88 140.33 46.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.165 -179.755 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.823 0.344 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 m -119.91 131.12 55.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.769 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.3 mt -141.92 138.67 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 121.214 0.53 . . . . 0.0 111.383 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.33 139.85 47.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.473 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.2 133.13 34.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.706 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.482 ' O ' HD23 ' A' ' 7' ' ' LEU . 61.2 tp -126.7 123.16 36.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 6' ' ' LEU . 81.3 mt -131.06 119.32 21.83 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.179 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.47 105.47 33.4 Favored Pre-proline 0 N--CA 1.442 -0.869 0 CA-C-O 121.464 0.649 . . . . 0.0 109.543 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -74.64 142.82 29.56 Favored 'Trans proline' 0 C--N 1.329 -0.451 0 C-N-CA 123.384 2.723 . . . . 0.0 112.456 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -132.14 153.03 50.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.735 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.851 0.358 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -100.88 140.19 35.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.989 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 mt -134.76 138.47 49.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -135.06 134.91 40.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.408 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.25 128.1 20.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.624 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 7' ' ' LEU . 38.0 tp -105.51 121.1 43.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.84 0.352 . . . . 0.0 111.28 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 6' ' ' LEU . 80.2 mt -131.44 119.26 21.37 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.108 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.5 105.43 56.06 Favored Pre-proline 0 N--CA 1.441 -0.905 0 CA-C-O 121.433 0.635 . . . . 0.0 109.824 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.82 143.18 85.38 Favored 'Trans proline' 0 C--N 1.328 -0.52 0 C-N-CA 123.404 2.736 . . . . 0.0 112.201 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -123.76 129.88 51.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.928 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.799 0.333 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.7 m -101.44 124.82 47.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.701 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 54.0 mt -105.02 138.12 31.31 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.256 0.55 . . . . 0.0 111.365 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.7 137.43 46.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.247 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.38 121.93 23.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.045 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.9 tp -129.07 127.44 41.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.725 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 79.7 mt -126.83 120.22 28.73 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.403 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.0 p -101.77 105.61 42.21 Favored Pre-proline 0 N--CA 1.441 -0.905 0 CA-C-O 121.448 0.642 . . . . 0.0 109.846 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 7' ' ' LEU . 73.4 Cg_endo -77.75 136.17 14.96 Favored 'Trans proline' 0 C--N 1.329 -0.493 0 C-N-CA 123.452 2.768 . . . . 0.0 112.652 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -126.03 124.84 41.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.757 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 p . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.796 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.815 0.34 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 m -111.97 134.79 53.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 mt -121.78 138.39 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.143 0.497 . . . . 0.0 111.439 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -116.92 125.57 51.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.315 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -131.39 111.12 11.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.4 tp -120.04 118.96 31.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.115 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.6 mt -123.19 119.72 31.06 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.073 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.22 105.28 56.93 Favored Pre-proline 0 N--CA 1.442 -0.857 0 CA-C-O 121.526 0.679 . . . . 0.0 109.997 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -84.94 142.6 8.96 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 123.7 2.933 . . . . 0.0 112.388 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.7 142.18 41.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.984 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.813 0.339 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 m -119.21 136.25 54.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.9 mt -132.68 138.32 52.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.996 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.84 137.72 46.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.148 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -117.0 139.11 51.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 7' ' ' LEU . 40.5 tp -114.74 120.22 39.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.256 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 6' ' ' LEU . 77.4 mt -136.55 119.79 16.73 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.151 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.6 105.55 17.25 Favored Pre-proline 0 N--CA 1.441 -0.893 0 CA-C-O 121.517 0.675 . . . . 0.0 110.024 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -78.29 136.01 13.95 Favored 'Trans proline' 0 C--N 1.329 -0.46 0 C-N-CA 123.492 2.795 . . . . 0.0 112.361 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -128.65 152.15 48.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 0.0 110.971 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.92 179.854 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 120.859 0.361 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.9 m -135.66 133.94 38.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.7 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.8 mt -138.45 138.35 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.052 0.453 . . . . 0.0 111.382 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.71 120.89 34.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.314 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.04 130.83 24.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.858 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.1 tp -119.03 107.45 13.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.069 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.54 119.81 28.07 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.139 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 p -106.65 105.38 54.65 Favored Pre-proline 0 N--CA 1.44 -0.93 0 CA-C-O 121.475 0.655 . . . . 0.0 109.996 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.28 145.23 21.3 Favored 'Trans proline' 0 C--N 1.327 -0.56 0 C-N-CA 123.467 2.778 . . . . 0.0 112.301 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.98 125.16 21.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.772 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.961 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 120.791 0.329 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.6 m -112.7 134.77 54.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.764 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 mt -125.42 138.27 54.95 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 121.285 0.564 . . . . 0.0 111.615 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.99 123.46 45.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.7 132.62 40.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.344 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.8 tp -119.53 131.69 55.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.9 mt -101.64 119.8 39.33 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.698 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.431 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -112.11 105.67 56.31 Favored Pre-proline 0 N--CA 1.44 -0.955 0 CA-C-O 121.392 0.615 . . . . 0.0 109.499 179.76 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 50.4 Cg_endo -71.85 140.63 35.59 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 C-N-CA 123.365 2.71 . . . . 0.0 112.432 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -135.23 131.63 36.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.737 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.966 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.838 0.351 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 m -115.64 137.14 52.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.763 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.5 mt -120.29 138.54 50.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-O 121.187 0.518 . . . . 0.0 111.392 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -134.76 134.29 40.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.299 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.51 138.58 53.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.581 ' O ' HD23 ' A' ' 7' ' ' LEU . 22.3 tp -126.54 103.6 7.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.935 0.398 . . . . 0.0 111.22 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 6' ' ' LEU . 75.2 mt -134.77 119.29 18.02 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.079 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -120.99 105.46 40.24 Favored Pre-proline 0 N--CA 1.44 -0.932 0 CA-C-O 121.537 0.684 . . . . 0.0 109.971 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.54 137.14 11.4 Favored 'Trans proline' 0 C--N 1.329 -0.454 0 C-N-CA 123.498 2.799 . . . . 0.0 112.213 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -109.79 137.45 47.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.983 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.748 0.309 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 m -116.22 131.33 56.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 63.0 mt -138.82 137.89 42.41 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 121.262 0.553 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.07 127.39 48.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.278 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.95 118.76 11.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -121.9 134.41 54.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.8 mt -108.05 120.18 41.58 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.576 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.69 105.61 43.15 Favored Pre-proline 0 N--CA 1.442 -0.837 0 CA-C-O 121.541 0.686 . . . . 0.0 109.945 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -51.42 144.3 32.13 Favored 'Trans proline' 0 C--N 1.329 -0.467 0 C-N-CA 123.434 2.756 . . . . 0.0 112.427 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -112.76 133.74 54.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.908 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.777 0.322 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.6 m -137.23 139.41 41.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.4 mt -135.63 138.36 48.13 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-O 121.25 0.548 . . . . 0.0 111.131 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.21 137.92 54.46 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.381 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.09 127.69 34.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.976 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.5 tp -111.2 135.39 51.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.024 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.0 mt -110.31 119.72 40.13 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.25 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.6 m -127.54 105.6 21.24 Favored Pre-proline 0 N--CA 1.442 -0.87 0 CA-C-O 121.478 0.656 . . . . 0.0 109.942 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.74 134.58 12.21 Favored 'Trans proline' 0 C--N 1.327 -0.558 0 C-N-CA 123.513 2.809 . . . . 0.0 112.257 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.21 142.52 51.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.928 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.833 0.349 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.2 m -103.3 122.83 45.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.1 mt -140.47 137.51 36.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.174 0.512 . . . . 0.0 111.195 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.76 129.27 55.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.095 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.55 125.42 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.2 tp -120.43 115.38 23.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.4 mt -121.04 119.74 33.36 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.357 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.55 105.57 57.36 Favored Pre-proline 0 N--CA 1.44 -0.969 0 CA-C-O 121.51 0.671 . . . . 0.0 109.808 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.85 140.29 14.41 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 123.441 2.761 . . . . 0.0 112.531 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -104.92 143.2 33.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.636 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.962 -179.72 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 120.792 0.329 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 m -119.79 140.11 51.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.726 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.3 mt -117.77 137.62 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.163 0.506 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.5 125.2 22.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.2 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -120.62 118.37 29.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.132 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.6 tp -130.12 113.92 15.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.728 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.2 mt -128.03 119.33 25.2 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.146 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.56 105.5 48.02 Favored Pre-proline 0 N--CA 1.441 -0.877 0 CA-C-O 121.619 0.723 . . . . 0.0 110.016 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -80.89 129.85 7.25 Favored 'Trans proline' 0 C--N 1.329 -0.462 0 C-N-CA 123.698 2.932 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -139.59 129.32 24.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.002 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.826 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 120.807 0.337 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.1 m -120.03 134.92 55.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.623 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.0 mt -131.96 138.51 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.057 0.456 . . . . 0.0 111.342 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.85 126.23 54.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.195 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.1 121.15 13.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 tp -129.35 128.62 43.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.742 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.5 mt -99.82 120.1 39.22 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.712 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 72.9 m -101.01 105.65 39.86 Favored Pre-proline 0 N--CA 1.44 -0.97 0 CA-C-O 121.504 0.669 . . . . 0.0 109.573 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 40.2 Cg_endo -70.7 139.9 37.98 Favored 'Trans proline' 0 C--N 1.33 -0.436 0 C-N-CA 123.167 2.578 . . . . 0.0 112.495 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -102.06 144.85 30.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.958 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.829 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.836 0.351 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.7 m -105.28 137.66 42.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.754 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.1 mt -116.88 138.0 48.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.042 0.448 . . . . 0.0 111.328 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.97 133.18 35.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.03 112.48 11.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.9 tp -127.77 131.3 49.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 66.7 mt -113.33 119.67 38.48 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.84 105.76 46.72 Favored Pre-proline 0 N--CA 1.441 -0.916 0 CA-C-O 121.479 0.657 . . . . 0.0 109.917 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.67 134.71 20.66 Favored 'Trans proline' 0 C--N 1.328 -0.534 0 C-N-CA 123.255 2.637 . . . . 0.0 112.431 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -136.88 125.47 23.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.721 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.01 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.828 0.347 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.5 m -116.88 129.23 55.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.594 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 56.4 mt -141.35 138.18 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.239 0.543 . . . . 0.0 111.235 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.12 137.45 53.6 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.027 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.67 125.69 19.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.382 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.9 tp -121.23 124.93 45.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.688 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.6 mt -126.4 119.86 28.33 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.586 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.41 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -121.41 105.48 39.06 Favored Pre-proline 0 N--CA 1.443 -0.825 0 CA-C-O 121.516 0.674 . . . . 0.0 109.797 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 8' ' ' SER . 21.2 Cg_exo -66.07 144.4 75.6 Favored 'Trans proline' 0 C--N 1.33 -0.41 0 C-N-CA 123.689 2.926 . . . . 0.0 112.513 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.37 143.52 50.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.972 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.3 m -109.96 125.77 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.798 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.5 mt -134.79 138.57 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.063 0.458 . . . . 0.0 111.474 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.93 126.58 41.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.283 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -124.08 114.22 19.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.798 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.9 tp -128.5 128.8 45.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.183 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.4 mt -120.65 119.79 33.86 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.441 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.23 105.51 53.95 Favored Pre-proline 0 N--CA 1.44 -0.938 0 CA-C-O 121.456 0.646 . . . . 0.0 109.83 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -79.61 145.2 18.18 Favored 'Trans proline' 0 C--N 1.327 -0.585 0 C-N-CA 123.436 2.757 . . . . 0.0 112.382 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -131.64 124.43 29.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.812 0.339 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.0 m -116.11 136.81 52.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.757 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 mt -137.57 137.73 45.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.242 0.544 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.58 132.56 43.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.061 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.0 125.65 28.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.6 tp -104.98 136.31 44.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.9 mt -109.66 119.76 40.4 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.398 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.424 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -110.67 105.54 57.21 Favored Pre-proline 0 N--CA 1.441 -0.877 0 CA-C-O 121.535 0.683 . . . . 0.0 109.842 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 43.8 Cg_endo -72.22 140.15 33.52 Favored 'Trans proline' 0 C--N 1.329 -0.483 0 C-N-CA 123.251 2.634 . . . . 0.0 112.096 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.46 153.12 33.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.831 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.845 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.745 0.307 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 m -112.65 136.09 52.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 56.1 mt -116.21 138.22 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.242 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.51 125.65 31.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.99 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -124.14 125.41 44.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.9 tp -101.64 134.85 44.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.72 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.1 mt -114.4 119.88 38.4 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.551 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.9 p -130.16 105.62 16.4 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-O 121.493 0.664 . . . . 0.0 109.819 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.91 143.11 92.79 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 C-N-CA 123.427 2.751 . . . . 0.0 112.278 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.52 143.96 51.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.881 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.925 0.393 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 m -116.46 132.56 56.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.729 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.1 mt -131.65 138.12 53.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.08 0.467 . . . . 0.0 111.487 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.99 122.26 47.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.111 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -120.87 138.2 54.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.6 tp -111.79 121.13 44.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.9 mt -112.76 119.56 38.46 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.1 105.57 54.15 Favored Pre-proline 0 N--CA 1.442 -0.874 0 CA-C-O 121.533 0.682 . . . . 0.0 109.837 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -74.88 140.79 26.22 Favored 'Trans proline' 0 C--N 1.328 -0.512 0 C-N-CA 123.481 2.788 . . . . 0.0 112.383 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -106.31 138.43 42.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.4 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.933 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.749 0.309 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 m -103.18 126.04 50.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.9 mt -104.09 138.08 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.225 0.536 . . . . 0.0 111.238 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -103.84 128.92 51.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.148 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -117.25 138.16 51.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.918 0.389 . . . . 0.0 111.346 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.524 ' O ' HD23 ' A' ' 7' ' ' LEU . 54.3 tp -108.1 119.53 39.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 6' ' ' LEU . 79.0 mt -132.03 119.82 21.56 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.367 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.75 105.52 35.35 Favored Pre-proline 0 N--CA 1.442 -0.839 0 CA-C-O 121.57 0.7 . . . . 0.0 109.904 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -77.82 137.79 16.24 Favored 'Trans proline' 0 C--N 1.33 -0.416 0 C-N-CA 123.516 2.81 . . . . 0.0 112.531 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -111.88 140.33 46.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.165 -179.755 . . . . . . . . 0 0 . 1 stop_ save_