data_2lkw_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 2lkw _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 core ' A' A ' 8' ' ' GLN . . . . . 0.422 HE21 ' HB3' ' A' ' 8' ' ' GLN . 7.2 mm100 . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 120.81 0.338 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.89 123.12 11.16 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 123.038 2.492 . . . . 0.0 111.657 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -88.8 124.8 1.58 Allowed 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.683 2.255 . . . . 0.0 111.884 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.77 125.45 48.94 Favored Pre-proline 0 C--N 1.324 -0.518 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.497 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -76.45 124.39 7.67 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.211 1.941 . . . . 0.0 111.88 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.66 122.54 10.5 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.225 1.95 . . . . 0.0 111.982 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -83.81 145.58 11.46 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 122.379 2.053 . . . . 0.0 112.229 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 1.4 m120 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.499 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 120.874 0.368 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -64.02 123.05 11.29 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.068 2.512 . . . . 0.0 111.677 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -88.66 124.89 1.64 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.702 2.268 . . . . 0.0 111.912 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.63 124.91 51.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.515 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -76.99 124.54 7.42 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.179 1.92 . . . . 0.0 111.865 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -51.52 122.54 10.42 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.211 1.941 . . . . 0.0 111.935 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.55 138.37 8.43 Favored 'Trans proline' 0 C--N 1.313 -1.306 0 C-N-CA 122.363 2.042 . . . . 0.0 112.23 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.547 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 . . . . . 0 N--CA 1.462 0.153 0 CA-C-O 120.851 0.358 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.57 123.04 10.85 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.07 2.514 . . . . 0.0 111.714 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -88.9 124.85 1.56 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.685 2.257 . . . . 0.0 111.926 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.71 124.86 51.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.469 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -77.35 124.39 7.1 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.224 1.949 . . . . 0.0 111.846 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.64 122.46 10.36 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 122.191 1.928 . . . . 0.0 111.967 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.59 150.8 13.12 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 122.343 2.029 . . . . 0.0 112.195 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.467 ' C ' ' OD1' ' A' ' 15' ' ' ASN . 2.5 p30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.503 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.83 0.348 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.1 123.0 10.93 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 123.029 2.486 . . . . 0.0 111.685 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -89.16 124.88 1.48 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.731 2.288 . . . . 0.0 111.933 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.59 127.2 42.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.43 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -76.14 124.23 7.76 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.14 1.893 . . . . 0.0 111.841 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.78 122.53 10.56 Favored 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 122.252 1.968 . . . . 0.0 111.986 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -83.73 140.88 9.45 Favored 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.381 2.054 . . . . 0.0 112.086 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.492 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.89 0.376 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -67.67 123.15 10.41 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.232 2.621 . . . . 0.0 111.641 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -88.75 124.72 1.59 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.686 2.258 . . . . 0.0 111.908 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.8 126.34 45.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.464 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -76.53 124.26 7.54 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.148 1.899 . . . . 0.0 111.892 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.63 122.54 10.48 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 122.212 1.942 . . . . 0.0 112.023 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -83.89 136.28 7.03 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 122.381 2.054 . . . . 0.0 112.16 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.813 0.339 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -65.41 122.99 10.83 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.091 2.527 . . . . 0.0 111.572 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -88.84 124.79 1.57 Allowed 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.669 2.246 . . . . 0.0 111.952 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.65 127.08 42.9 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.449 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -76.0 124.3 7.9 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.247 1.965 . . . . 0.0 111.81 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -51.73 122.61 10.67 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.216 1.944 . . . . 0.0 112.024 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -83.76 157.01 13.83 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.323 2.016 . . . . 0.0 112.2 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 m120 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.455 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.439 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 9.4 mm100 . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 120.898 0.38 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 8' ' ' GLN . 19.6 Cg_exo -68.0 123.17 10.35 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.133 2.555 . . . . 0.0 111.725 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -88.76 124.88 1.61 Allowed 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.709 2.273 . . . . 0.0 111.816 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.74 127.1 42.64 Favored Pre-proline 0 C--N 1.325 -0.5 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.503 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -76.9 124.48 7.44 Favored 'Trans proline' 0 C--N 1.313 -1.3 0 C-N-CA 122.178 1.919 . . . . 0.0 111.796 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -51.7 122.46 10.39 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.203 1.935 . . . . 0.0 111.959 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -84.67 165.05 12.13 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.343 2.029 . . . . 0.0 112.234 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.475 179.891 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.794 0.331 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -61.7 122.93 11.73 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.949 2.432 . . . . 0.0 111.698 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -88.94 124.83 1.54 Allowed 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.708 2.272 . . . . 0.0 111.967 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.67 127.73 40.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.398 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -75.45 124.28 8.23 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.131 1.888 . . . . 0.0 111.843 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -51.61 122.56 10.51 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 122.31 2.006 . . . . 0.0 112.037 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -83.74 129.93 4.96 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.335 2.023 . . . . 0.0 112.174 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.895 0.379 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -63.42 123.07 11.48 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 123.048 2.499 . . . . 0.0 111.633 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -88.92 124.77 1.54 Allowed 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.729 2.286 . . . . 0.0 111.915 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.69 125.06 50.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.496 -0.481 . . . . 0.0 110.484 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -76.59 124.42 7.61 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.224 1.95 . . . . 0.0 111.778 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.65 122.54 10.5 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.205 1.936 . . . . 0.0 112.015 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.92 150.98 12.64 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 122.381 2.054 . . . . 0.0 112.205 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 t30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.863 0.363 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -66.17 123.02 10.66 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 123.198 2.599 . . . . 0.0 111.657 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -88.96 124.68 1.52 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.752 2.302 . . . . 0.0 111.938 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.6 127.37 41.92 Favored Pre-proline 0 C--N 1.325 -0.499 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.403 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -76.3 124.36 7.75 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.144 1.896 . . . . 0.0 111.847 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.77 122.56 10.61 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.206 1.937 . . . . 0.0 112.005 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -83.62 164.92 14.13 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.373 2.049 . . . . 0.0 112.2 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 42.7 t30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.437 ' H2 ' ' HE2' ' A' ' 4' ' ' HIS . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -175.88 -34.59 0.04 OUTLIER Glycine 0 C--N 1.304 -1.212 0 C-N-CA 118.098 -2.001 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.621 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 5.3 mt-30 -124.6 -50.49 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.318 . . . . 0.0 110.556 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.621 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER 151.26 142.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.25 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.477 ' ND1' ' N ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -138.59 -169.14 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.578 ' O ' ' C ' ' A' ' 6' ' ' ILE . 10.1 p -62.17 137.91 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.646 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.578 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -18.52 111.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.945 -179.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.48 91.51 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.587 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.422 HE21 ' HB3' ' A' ' 8' ' ' GLN . 7.2 mm100 -130.81 73.63 80.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.551 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.89 123.12 11.16 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 123.038 2.492 . . . . 0.0 111.657 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -88.8 124.8 1.58 Allowed 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.683 2.255 . . . . 0.0 111.884 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.77 125.45 48.94 Favored Pre-proline 0 C--N 1.324 -0.518 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.497 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -76.45 124.39 7.67 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.211 1.941 . . . . 0.0 111.88 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.66 122.54 10.5 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.225 1.95 . . . . 0.0 111.982 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -83.81 145.58 11.46 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 122.379 2.053 . . . . 0.0 112.229 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 1.4 m120 -70.99 152.37 43.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.499 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.89 157.98 16.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.741 0.305 . . . . 0.0 110.498 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.39 100.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.564 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t 59.41 82.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.576 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.41 -58.49 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.413 HD13 HG22 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -99.78 -76.42 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.073 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -93.07 -4.95 64.4 Favored Glycine 0 C--N 1.305 -1.173 0 C-N-CA 118.728 -1.701 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.616 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 12.0 mm-40 -80.23 -35.6 35.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.557 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.616 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER 151.8 142.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.433 ' CA ' ' HE ' ' A' ' 3' ' ' ARG . 3.1 t60 -153.35 -164.04 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.607 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.632 ' O ' ' N ' ' A' ' 7' ' ' VAL . 57.2 p -79.93 52.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.554 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.65 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -17.48 -49.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.174 -179.814 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.632 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -47.53 81.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.563 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.65 ' N ' ' O ' ' A' ' 6' ' ' ILE . 39.9 mm-40 -130.14 74.19 80.68 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.518 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -64.02 123.05 11.29 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.068 2.512 . . . . 0.0 111.677 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -88.66 124.89 1.64 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.702 2.268 . . . . 0.0 111.912 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.63 124.91 51.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.515 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -76.99 124.54 7.42 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.179 1.92 . . . . 0.0 111.865 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -51.52 122.54 10.42 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.211 1.941 . . . . 0.0 111.935 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.55 138.37 8.43 Favored 'Trans proline' 0 C--N 1.313 -1.306 0 C-N-CA 122.363 2.042 . . . . 0.0 112.23 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.491 ' OD1' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -60.25 158.7 11.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.547 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 18' ' ' VAL . . . -125.63 75.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.554 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.687 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -59.89 82.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 16' ' ' ALA . 2.0 t -128.99 78.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.28 166.06 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.594 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.2 pt -130.89 22.92 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.531 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.038 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 170.35 32.03 0.02 OUTLIER Glycine 0 C--N 1.305 -1.139 0 C-N-CA 117.689 -2.196 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.623 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 8.5 mm100 -86.29 -53.43 5.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.629 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.623 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER 151.51 142.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.217 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.453 ' HA ' ' HE ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -172.22 -174.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.577 ' O ' ' C ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -57.77 120.18 7.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.615 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.577 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -18.73 111.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.937 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.0 72.06 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -132.3 72.51 78.46 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.537 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.57 123.04 10.85 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.07 2.514 . . . . 0.0 111.714 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -88.9 124.85 1.56 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.685 2.257 . . . . 0.0 111.926 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.71 124.86 51.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.469 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -77.35 124.39 7.1 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.224 1.949 . . . . 0.0 111.846 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.64 122.46 10.36 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 122.191 1.928 . . . . 0.0 111.967 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.59 150.8 13.12 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 122.343 2.029 . . . . 0.0 112.195 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.467 ' C ' ' OD1' ' A' ' 15' ' ' ASN . 2.5 p30 -65.0 156.51 31.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.503 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.72 7.82 4.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.592 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -122.74 92.76 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.639 ' O ' ' N ' ' A' ' 20' ' ' ILE . 3.4 t -138.94 83.02 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' O ' ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -54.64 74.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.639 ' N ' ' O ' ' A' ' 18' ' ' VAL . 6.5 mt 61.33 145.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 120.035 -1.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -166.16 31.73 0.21 Allowed Glycine 0 C--N 1.305 -1.148 0 C-N-CA 118.049 -2.024 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.511 ' O ' ' C ' ' A' ' 3' ' ' ARG . 13.3 mt-30 -130.91 22.67 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.577 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.511 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER 29.59 62.79 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.48 -179.775 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.514 ' ND1' ' N ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -32.11 -62.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.558 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.645 ' O ' ' N ' ' A' ' 7' ' ' VAL . 8.1 p -87.51 54.33 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.588 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.584 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -17.67 -48.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.091 -179.788 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.645 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -52.04 82.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.57 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' ILE . 14.0 mm100 -131.69 73.08 79.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.497 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.1 123.0 10.93 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 123.029 2.486 . . . . 0.0 111.685 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -89.16 124.88 1.48 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.731 2.288 . . . . 0.0 111.933 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.59 127.2 42.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.43 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -76.14 124.23 7.76 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.14 1.893 . . . . 0.0 111.841 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.78 122.53 10.56 Favored 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 122.252 1.968 . . . . 0.0 111.986 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -83.73 140.88 9.45 Favored 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.381 2.054 . . . . 0.0 112.086 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.784 ' ND2' ' H ' ' A' ' 17' ' ' PHE . 2.9 t-20 -55.3 154.3 6.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.492 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.619 ' H ' ' ND2' ' A' ' 15' ' ' ASN . . . -141.82 22.0 2.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.611 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.784 ' H ' ' ND2' ' A' ' 15' ' ' ASN . 2.0 m-85 -116.8 97.45 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.553 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -143.71 81.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.571 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.505 ' OE2' ' CG2' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -122.64 -30.64 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.581 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.505 ' CG2' ' OE2' ' A' ' 19' ' ' GLU . 5.2 tt -157.55 129.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.033 -1.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -153.25 -31.99 0.03 OUTLIER Glycine 0 C--N 1.305 -1.181 0 O-C-N 120.019 -1.676 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.578 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 1.9 mm-40 -110.33 -79.56 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.583 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.578 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER 154.72 -35.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.555 ' C ' ' O ' ' A' ' 3' ' ' ARG . 7.0 m80 24.74 -98.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.777 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.58 ' O ' ' C ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER -140.86 44.62 1.81 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.599 -179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.58 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -17.64 111.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.026 -179.804 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.85 24.07 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.612 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -133.93 71.23 74.14 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.596 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -67.67 123.15 10.41 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.232 2.621 . . . . 0.0 111.641 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -88.75 124.72 1.59 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.686 2.258 . . . . 0.0 111.908 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.8 126.34 45.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.464 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -76.53 124.26 7.54 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.148 1.899 . . . . 0.0 111.892 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.63 122.54 10.48 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 122.212 1.942 . . . . 0.0 112.023 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -83.89 136.28 7.03 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 122.381 2.054 . . . . 0.0 112.16 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 17' ' ' PHE . 7.6 t-20 -64.39 164.94 10.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.517 ' O ' ' C ' ' A' ' 17' ' ' PHE . . . -112.54 52.8 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.635 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.517 ' C ' ' O ' ' A' ' 16' ' ' ALA . 2.9 m-85 30.6 89.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.632 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.4 t 56.44 94.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.769 ' H ' ' CD ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -104.05 8.26 36.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.4 mt 61.18 -43.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.532 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.578 ' N ' ' O ' ' A' ' 19' ' ' GLU . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.084 -1.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -133.37 31.8 2.82 Favored Glycine 0 C--N 1.305 -1.159 0 O-C-N 119.987 -1.696 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.534 ' O ' ' C ' ' A' ' 3' ' ' ARG . 37.5 mt-30 -141.5 -132.26 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.736 0.303 . . . . 0.0 110.618 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.534 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER 29.07 -128.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.447 -179.75 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.638 ' ND1' ' N ' ' A' ' 4' ' ' HIS . 0.1 OUTLIER -127.4 167.8 15.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.535 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.618 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -84.31 125.32 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.584 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.586 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -16.41 -51.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.193 -179.678 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.618 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.2 OUTLIER -91.87 52.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.562 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.59 ' N ' ' O ' ' A' ' 5' ' ' SER . 23.4 mm100 -132.18 72.82 78.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.499 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -65.41 122.99 10.83 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.091 2.527 . . . . 0.0 111.572 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -88.84 124.79 1.57 Allowed 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.669 2.246 . . . . 0.0 111.952 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.65 127.08 42.9 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.449 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -76.0 124.3 7.9 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.247 1.965 . . . . 0.0 111.81 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -51.73 122.61 10.67 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.216 1.944 . . . . 0.0 112.024 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -83.76 157.01 13.83 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.323 2.016 . . . . 0.0 112.2 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -65.72 152.28 44.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.455 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.92 11.27 8.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.789 0.328 . . . . 0.0 110.557 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -89.31 77.11 7.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.7 t -147.27 84.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.571 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.647 ' H ' ' CD ' ' A' ' 19' ' ' GLU . 4.6 pm0 -107.69 177.8 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.494 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 tt -152.58 -26.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.609 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.015 -1.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 108.0 5.31 33.17 Favored Glycine 0 C--N 1.305 -1.189 0 O-C-N 120.028 -1.67 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.527 ' O ' ' C ' ' A' ' 3' ' ' ARG . 4.3 mm-40 -128.68 -66.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.734 0.302 . . . . 0.0 110.576 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.536 ' O ' ' C ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER 29.35 -124.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.478 -179.82 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.617 ' O ' ' CG ' ' A' ' 4' ' ' HIS . 15.5 t60 27.58 72.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.604 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.672 ' O ' ' N ' ' A' ' 7' ' ' VAL . 13.8 p -71.72 68.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.553 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.646 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -17.82 -46.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.171 -179.748 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.672 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -60.17 59.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.619 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.646 ' N ' ' O ' ' A' ' 6' ' ' ILE . 9.4 mm100 -137.95 67.72 49.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.511 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 8' ' ' GLN . 19.6 Cg_exo -68.0 123.17 10.35 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.133 2.555 . . . . 0.0 111.725 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -88.76 124.88 1.61 Allowed 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.709 2.273 . . . . 0.0 111.816 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.74 127.1 42.64 Favored Pre-proline 0 C--N 1.325 -0.5 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.503 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -76.9 124.48 7.44 Favored 'Trans proline' 0 C--N 1.313 -1.3 0 C-N-CA 122.178 1.919 . . . . 0.0 111.796 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -51.7 122.46 10.39 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.203 1.935 . . . . 0.0 111.959 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -84.67 165.05 12.13 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.343 2.029 . . . . 0.0 112.234 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.702 ' ND2' ' H ' ' A' ' 17' ' ' PHE . 1.6 t30 -62.16 164.95 6.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.475 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.649 ' N ' ' OD1' ' A' ' 15' ' ' ASN . . . -117.83 23.94 11.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.648 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.702 ' H ' ' ND2' ' A' ' 15' ' ' ASN . 58.6 m-85 28.18 89.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.598 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.9 t 44.09 78.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.411 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 1.261 ' OE1' HG23 ' A' ' 20' ' ' ILE . 0.5 OUTLIER 63.0 -85.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.508 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 1.261 HG23 ' OE1' ' A' ' 19' ' ' GLU . 5.7 tt -177.91 149.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.602 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.984 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -94.55 1.75 66.73 Favored Glycine 0 C--N 1.305 -1.18 0 C-N-CA 118.56 -1.781 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 39.0 mm-40 -125.78 3.05 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.62 0.248 . . . . 0.0 110.577 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER 87.33 -176.95 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.665 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.461 ' N ' ' CG ' ' A' ' 3' ' ' ARG . 2.1 p80 -79.05 72.78 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.658 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER -99.95 -11.64 20.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.582 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -16.19 -49.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.152 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.658 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -58.02 78.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.53 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' A' ' 6' ' ' ILE . 16.9 mm100 -126.31 76.75 72.83 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -61.7 122.93 11.73 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.949 2.432 . . . . 0.0 111.698 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -88.94 124.83 1.54 Allowed 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.708 2.272 . . . . 0.0 111.967 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.67 127.73 40.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.398 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -75.45 124.28 8.23 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.131 1.888 . . . . 0.0 111.843 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -51.61 122.56 10.51 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 122.31 2.006 . . . . 0.0 112.037 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -83.74 129.93 4.96 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.335 2.023 . . . . 0.0 112.174 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.634 ' ND2' ' H ' ' A' ' 16' ' ' ALA . 2.4 t-20 -65.07 164.92 12.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.634 ' H ' ' ND2' ' A' ' 15' ' ' ASN . . . -89.63 74.12 7.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.643 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -87.15 76.56 9.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -126.85 88.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.99 -24.99 13.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.615 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 tt -157.67 137.0 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.56 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.036 -1.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -81.77 -35.83 20.95 Favored Glycine 0 C--N 1.305 -1.154 0 C-N-CA 117.937 -2.078 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 5.8 mt-30 -97.14 -148.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.655 0.264 . . . . 0.0 110.533 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER 87.03 -25.82 0.09 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.653 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -145.59 73.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.584 ' O ' ' C ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER -114.47 139.88 49.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.588 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.584 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -18.65 111.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.894 -179.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -90.22 53.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -129.17 74.81 80.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -63.42 123.07 11.48 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 123.048 2.499 . . . . 0.0 111.633 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -88.92 124.77 1.54 Allowed 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.729 2.286 . . . . 0.0 111.915 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.69 125.06 50.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.496 -0.481 . . . . 0.0 110.484 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -76.59 124.42 7.61 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.224 1.95 . . . . 0.0 111.778 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.65 122.54 10.5 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.205 1.936 . . . . 0.0 112.015 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.92 150.98 12.64 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 122.381 2.054 . . . . 0.0 112.205 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.456 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 11.3 t30 -57.63 164.86 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.512 ' O ' ' C ' ' A' ' 17' ' ' PHE . . . -87.86 70.0 9.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.494 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.541 ' O ' ' O ' ' A' ' 18' ' ' VAL . 1.9 m-85 29.63 88.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.535 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.541 ' O ' ' O ' ' A' ' 17' ' ' PHE . 81.4 t 34.34 97.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.586 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.8 164.61 16.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.537 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.571 ' CG2' ' O ' ' A' ' 20' ' ' ILE . 6.1 tt -146.01 85.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 67.04 34.11 85.73 Favored Glycine 0 C--N 1.305 -1.174 0 C-N-CA 115.857 -3.068 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 33.6 mm-40 -89.52 -13.67 36.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.672 0.273 . . . . 0.0 110.572 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.544 ' O ' ' C ' ' A' ' 4' ' ' HIS . 4.5 ptt-85 87.27 145.01 0.05 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.699 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.544 ' C ' ' O ' ' A' ' 3' ' ' ARG . 33.8 t60 27.18 73.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.605 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.586 ' O ' ' C ' ' A' ' 6' ' ' ILE . 69.2 p -86.82 72.51 10.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.586 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -19.1 111.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.909 -179.8 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.17 76.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -132.91 72.15 77.29 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.544 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -66.17 123.02 10.66 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 123.198 2.599 . . . . 0.0 111.657 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -88.96 124.68 1.52 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.752 2.302 . . . . 0.0 111.938 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.6 127.37 41.92 Favored Pre-proline 0 C--N 1.325 -0.499 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.403 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -76.3 124.36 7.75 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.144 1.896 . . . . 0.0 111.847 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.77 122.56 10.61 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.206 1.937 . . . . 0.0 112.005 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -83.62 164.92 14.13 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.373 2.049 . . . . 0.0 112.2 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -67.41 163.91 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.622 ' O ' ' N ' ' A' ' 18' ' ' VAL . . . -95.37 73.96 3.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.615 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.513 ' C ' ' O ' ' A' ' 16' ' ' ALA . 55.2 m-85 -31.23 88.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.552 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.622 ' N ' ' O ' ' A' ' 16' ' ' ALA . 20.6 t 53.57 82.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 1.328 ' N ' ' OE1' ' A' ' 19' ' ' GLU . 1.5 pm0 -44.19 177.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.529 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.1 pt -117.78 -151.75 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.581 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.103 -1.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 120.81 0.338 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.89 123.12 11.16 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 123.038 2.492 . . . . 0.0 111.657 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -88.8 124.8 1.58 Allowed 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.683 2.255 . . . . 0.0 111.884 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.77 125.45 48.94 Favored Pre-proline 0 C--N 1.324 -0.518 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.497 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -76.45 124.39 7.67 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.211 1.941 . . . . 0.0 111.88 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.66 122.54 10.5 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.225 1.95 . . . . 0.0 111.982 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -83.81 145.58 11.46 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 122.379 2.053 . . . . 0.0 112.229 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 1.4 m120 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.499 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 120.874 0.368 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -64.02 123.05 11.29 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.068 2.512 . . . . 0.0 111.677 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -88.66 124.89 1.64 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.702 2.268 . . . . 0.0 111.912 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.63 124.91 51.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.515 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -76.99 124.54 7.42 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.179 1.92 . . . . 0.0 111.865 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -51.52 122.54 10.42 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.211 1.941 . . . . 0.0 111.935 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.55 138.37 8.43 Favored 'Trans proline' 0 C--N 1.313 -1.306 0 C-N-CA 122.363 2.042 . . . . 0.0 112.23 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.547 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 . . . . . 0 N--CA 1.462 0.153 0 CA-C-O 120.851 0.358 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.57 123.04 10.85 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.07 2.514 . . . . 0.0 111.714 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -88.9 124.85 1.56 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.685 2.257 . . . . 0.0 111.926 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.71 124.86 51.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.469 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -77.35 124.39 7.1 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.224 1.949 . . . . 0.0 111.846 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.64 122.46 10.36 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 122.191 1.928 . . . . 0.0 111.967 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.59 150.8 13.12 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 122.343 2.029 . . . . 0.0 112.195 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.467 ' C ' ' OD1' ' A' ' 15' ' ' ASN . 2.5 p30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.503 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.83 0.348 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.1 123.0 10.93 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 123.029 2.486 . . . . 0.0 111.685 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -89.16 124.88 1.48 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.731 2.288 . . . . 0.0 111.933 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.59 127.2 42.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.43 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -76.14 124.23 7.76 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.14 1.893 . . . . 0.0 111.841 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.78 122.53 10.56 Favored 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 122.252 1.968 . . . . 0.0 111.986 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -83.73 140.88 9.45 Favored 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.381 2.054 . . . . 0.0 112.086 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.492 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.89 0.376 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -67.67 123.15 10.41 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.232 2.621 . . . . 0.0 111.641 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -88.75 124.72 1.59 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.686 2.258 . . . . 0.0 111.908 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.8 126.34 45.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.464 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -76.53 124.26 7.54 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.148 1.899 . . . . 0.0 111.892 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.63 122.54 10.48 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 122.212 1.942 . . . . 0.0 112.023 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -83.89 136.28 7.03 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 122.381 2.054 . . . . 0.0 112.16 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.813 0.339 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -65.41 122.99 10.83 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.091 2.527 . . . . 0.0 111.572 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -88.84 124.79 1.57 Allowed 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.669 2.246 . . . . 0.0 111.952 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.65 127.08 42.9 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.449 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -76.0 124.3 7.9 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.247 1.965 . . . . 0.0 111.81 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -51.73 122.61 10.67 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.216 1.944 . . . . 0.0 112.024 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -83.76 157.01 13.83 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.323 2.016 . . . . 0.0 112.2 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 m120 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.455 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.432 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 9.4 mm100 . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 120.898 0.38 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 8' ' ' GLN . 19.6 Cg_exo -68.0 123.17 10.35 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.133 2.555 . . . . 0.0 111.725 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -88.76 124.88 1.61 Allowed 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.709 2.273 . . . . 0.0 111.816 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.74 127.1 42.64 Favored Pre-proline 0 C--N 1.325 -0.5 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.503 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -76.9 124.48 7.44 Favored 'Trans proline' 0 C--N 1.313 -1.3 0 C-N-CA 122.178 1.919 . . . . 0.0 111.796 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -51.7 122.46 10.39 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.203 1.935 . . . . 0.0 111.959 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -84.67 165.05 12.13 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.343 2.029 . . . . 0.0 112.234 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.475 179.891 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.794 0.331 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -61.7 122.93 11.73 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.949 2.432 . . . . 0.0 111.698 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -88.94 124.83 1.54 Allowed 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.708 2.272 . . . . 0.0 111.967 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.67 127.73 40.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.398 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -75.45 124.28 8.23 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.131 1.888 . . . . 0.0 111.843 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -51.61 122.56 10.51 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 122.31 2.006 . . . . 0.0 112.037 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -83.74 129.93 4.96 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.335 2.023 . . . . 0.0 112.174 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.895 0.379 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -63.42 123.07 11.48 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 123.048 2.499 . . . . 0.0 111.633 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -88.92 124.77 1.54 Allowed 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.729 2.286 . . . . 0.0 111.915 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.69 125.06 50.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.496 -0.481 . . . . 0.0 110.484 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -76.59 124.42 7.61 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.224 1.95 . . . . 0.0 111.778 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.65 122.54 10.5 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.205 1.936 . . . . 0.0 112.015 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.92 150.98 12.64 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 122.381 2.054 . . . . 0.0 112.205 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 t30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.863 0.363 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -66.17 123.02 10.66 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 123.198 2.599 . . . . 0.0 111.657 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -88.96 124.68 1.52 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.752 2.302 . . . . 0.0 111.938 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.6 127.37 41.92 Favored Pre-proline 0 C--N 1.325 -0.499 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.403 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -76.3 124.36 7.75 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.144 1.896 . . . . 0.0 111.847 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.77 122.56 10.61 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.206 1.937 . . . . 0.0 112.005 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -83.62 164.92 14.13 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.373 2.049 . . . . 0.0 112.2 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 42.7 t30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -175.88 -34.59 0.04 OUTLIER Glycine 0 C--N 1.304 -1.212 0 C-N-CA 118.098 -2.001 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.621 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 5.3 mt-30 -124.6 -50.49 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.318 . . . . 0.0 110.556 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.621 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER 151.26 142.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.25 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.477 ' ND1' ' N ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -138.59 -169.14 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.578 ' O ' ' C ' ' A' ' 6' ' ' ILE . 10.1 p -62.17 137.91 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.646 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.578 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -18.52 111.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.945 -179.799 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.48 91.51 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.587 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -130.81 73.63 80.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.551 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.89 123.12 11.16 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 123.038 2.492 . . . . 0.0 111.657 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -88.8 124.8 1.58 Allowed 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.683 2.255 . . . . 0.0 111.884 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.77 125.45 48.94 Favored Pre-proline 0 C--N 1.324 -0.518 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.497 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -76.45 124.39 7.67 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.211 1.941 . . . . 0.0 111.88 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.66 122.54 10.5 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.225 1.95 . . . . 0.0 111.982 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -83.81 145.58 11.46 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 122.379 2.053 . . . . 0.0 112.229 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 1.4 m120 -70.99 152.37 43.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.499 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.89 157.98 16.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.741 0.305 . . . . 0.0 110.498 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.39 100.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.564 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t 59.41 82.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.576 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.41 -58.49 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -99.78 -76.42 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.073 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -93.07 -4.95 64.4 Favored Glycine 0 C--N 1.305 -1.173 0 C-N-CA 118.728 -1.701 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.616 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 12.0 mm-40 -80.23 -35.6 35.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.557 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.616 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER 151.8 142.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.462 ' CA ' ' HE ' ' A' ' 3' ' ' ARG . 3.1 t60 -153.35 -164.04 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.607 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.632 ' O ' ' N ' ' A' ' 7' ' ' VAL . 57.2 p -79.93 52.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.554 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.65 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -17.48 -49.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.174 -179.814 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.632 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -47.53 81.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.563 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.65 ' N ' ' O ' ' A' ' 6' ' ' ILE . 39.9 mm-40 -130.14 74.19 80.68 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.518 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -64.02 123.05 11.29 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.068 2.512 . . . . 0.0 111.677 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -88.66 124.89 1.64 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.702 2.268 . . . . 0.0 111.912 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.63 124.91 51.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.515 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -76.99 124.54 7.42 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.179 1.92 . . . . 0.0 111.865 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -51.52 122.54 10.42 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.211 1.941 . . . . 0.0 111.935 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.55 138.37 8.43 Favored 'Trans proline' 0 C--N 1.313 -1.306 0 C-N-CA 122.363 2.042 . . . . 0.0 112.23 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.562 ' ND2' ' CD2' ' A' ' 17' ' ' PHE . 1.5 p-10 -60.25 158.7 11.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.547 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.677 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -125.63 75.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.554 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.687 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -59.89 82.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 16' ' ' ALA . 2.0 t -128.99 78.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' H ' ' HG3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -112.28 166.06 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.594 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.2 pt -130.89 22.92 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.531 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.038 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 170.35 32.03 0.02 OUTLIER Glycine 0 C--N 1.305 -1.139 0 C-N-CA 117.689 -2.196 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.623 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 44.9 mm-40 -86.29 -53.43 5.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.629 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.623 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER 151.51 142.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.217 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.494 ' HA ' ' HE ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -172.22 -174.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.577 ' O ' ' C ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -57.77 120.18 7.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.615 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.577 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -18.73 111.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.937 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.412 HG22 ' H ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -91.0 72.06 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 -179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -132.3 72.51 78.46 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.537 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.57 123.04 10.85 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.07 2.514 . . . . 0.0 111.714 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -88.9 124.85 1.56 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.685 2.257 . . . . 0.0 111.926 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.71 124.86 51.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.469 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -77.35 124.39 7.1 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.224 1.949 . . . . 0.0 111.846 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.64 122.46 10.36 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 122.191 1.928 . . . . 0.0 111.967 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.59 150.8 13.12 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 122.343 2.029 . . . . 0.0 112.195 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.467 ' C ' ' OD1' ' A' ' 15' ' ' ASN . 2.5 p30 -65.0 156.51 31.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.503 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.72 7.82 4.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.592 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -122.74 92.76 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.639 ' O ' ' N ' ' A' ' 20' ' ' ILE . 3.4 t -138.94 83.02 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' O ' ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -54.64 74.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.639 ' N ' ' O ' ' A' ' 18' ' ' VAL . 6.5 mt 61.33 145.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 120.035 -1.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -166.16 31.73 0.21 Allowed Glycine 0 C--N 1.305 -1.148 0 C-N-CA 118.049 -2.024 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.511 ' O ' ' C ' ' A' ' 3' ' ' ARG . 53.0 mt-30 -130.91 22.67 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.577 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.511 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER 29.59 62.79 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.48 -179.775 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.514 ' ND1' ' N ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -32.11 -62.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.558 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.645 ' O ' ' N ' ' A' ' 7' ' ' VAL . 8.1 p -87.51 54.33 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.588 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.584 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -17.67 -48.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.091 -179.788 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.645 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -52.04 82.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.57 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' ILE . 14.0 mm100 -131.69 73.08 79.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.497 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.1 123.0 10.93 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 123.029 2.486 . . . . 0.0 111.685 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -89.16 124.88 1.48 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.731 2.288 . . . . 0.0 111.933 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.59 127.2 42.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.43 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -76.14 124.23 7.76 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.14 1.893 . . . . 0.0 111.841 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.78 122.53 10.56 Favored 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 122.252 1.968 . . . . 0.0 111.986 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -83.73 140.88 9.45 Favored 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.381 2.054 . . . . 0.0 112.086 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 16' ' ' ALA . 7.3 t30 -55.3 154.3 6.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.492 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.436 ' N ' ' OD1' ' A' ' 15' ' ' ASN . . . -141.82 22.0 2.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.611 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -116.8 97.45 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.553 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -143.71 81.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.571 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.558 ' OE2' HG22 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -122.64 -30.64 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.581 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.558 HG22 ' OE2' ' A' ' 19' ' ' GLU . 5.2 tt -157.55 129.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.033 -1.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -153.25 -31.99 0.03 OUTLIER Glycine 0 C--N 1.305 -1.181 0 O-C-N 120.019 -1.676 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.578 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 1.9 mm-40 -110.33 -79.56 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.583 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.578 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER 154.72 -35.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.555 ' C ' ' O ' ' A' ' 3' ' ' ARG . 7.0 m80 24.74 -98.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.777 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.58 ' O ' ' C ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER -140.86 44.62 1.81 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.599 -179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.58 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -17.64 111.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.026 -179.804 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.85 24.07 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.612 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -133.93 71.23 74.14 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.596 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -67.67 123.15 10.41 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.232 2.621 . . . . 0.0 111.641 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -88.75 124.72 1.59 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.686 2.258 . . . . 0.0 111.908 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.8 126.34 45.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.464 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -76.53 124.26 7.54 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.148 1.899 . . . . 0.0 111.892 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.63 122.54 10.48 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 122.212 1.942 . . . . 0.0 112.023 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -83.89 136.28 7.03 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 122.381 2.054 . . . . 0.0 112.16 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 17' ' ' PHE . 7.6 t-20 -64.39 164.94 10.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.517 ' O ' ' C ' ' A' ' 17' ' ' PHE . . . -112.54 52.8 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.635 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.517 ' C ' ' O ' ' A' ' 16' ' ' ALA . 2.9 m-85 30.6 89.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.632 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.4 t 56.44 94.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.851 ' H ' ' CD ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -104.05 8.26 36.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.4 mt 61.18 -43.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.532 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.598 ' N ' ' O ' ' A' ' 19' ' ' GLU . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.084 -1.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -133.37 31.8 2.82 Favored Glycine 0 C--N 1.305 -1.159 0 O-C-N 119.987 -1.696 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.534 ' O ' ' C ' ' A' ' 3' ' ' ARG . 37.5 mt-30 -141.5 -132.26 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.736 0.303 . . . . 0.0 110.618 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.534 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER 29.07 -128.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.447 -179.75 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.638 ' ND1' ' N ' ' A' ' 4' ' ' HIS . 0.1 OUTLIER -127.4 167.8 15.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.535 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.618 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -84.31 125.32 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.584 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.586 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -16.41 -51.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.193 -179.678 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.618 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.2 OUTLIER -91.87 52.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.562 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.59 ' N ' ' O ' ' A' ' 5' ' ' SER . 23.4 mm100 -132.18 72.82 78.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.499 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -65.41 122.99 10.83 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.091 2.527 . . . . 0.0 111.572 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -88.84 124.79 1.57 Allowed 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.669 2.246 . . . . 0.0 111.952 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.65 127.08 42.9 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.449 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -76.0 124.3 7.9 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.247 1.965 . . . . 0.0 111.81 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -51.73 122.61 10.67 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.216 1.944 . . . . 0.0 112.024 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -83.76 157.01 13.83 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.323 2.016 . . . . 0.0 112.2 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -65.72 152.28 44.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.455 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.92 11.27 8.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.789 0.328 . . . . 0.0 110.557 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -89.31 77.11 7.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.7 t -147.27 84.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.571 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.725 ' H ' ' CD ' ' A' ' 19' ' ' GLU . 4.6 pm0 -107.69 177.8 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.494 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 tt -152.58 -26.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.609 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.015 -1.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 108.0 5.31 33.17 Favored Glycine 0 C--N 1.305 -1.189 0 O-C-N 120.028 -1.67 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.527 ' O ' ' C ' ' A' ' 3' ' ' ARG . 4.3 mm-40 -128.68 -66.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.734 0.302 . . . . 0.0 110.576 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.536 ' O ' ' C ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER 29.35 -124.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.478 -179.82 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.617 ' O ' ' CG ' ' A' ' 4' ' ' HIS . 15.5 t60 27.58 72.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.604 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.672 ' O ' ' N ' ' A' ' 7' ' ' VAL . 13.8 p -71.72 68.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.553 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.646 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -17.82 -46.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.171 -179.748 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.672 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -60.17 59.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.619 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.646 ' N ' ' O ' ' A' ' 6' ' ' ILE . 9.4 mm100 -137.95 67.72 49.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.511 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 8' ' ' GLN . 19.6 Cg_exo -68.0 123.17 10.35 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.133 2.555 . . . . 0.0 111.725 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -88.76 124.88 1.61 Allowed 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.709 2.273 . . . . 0.0 111.816 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.74 127.1 42.64 Favored Pre-proline 0 C--N 1.325 -0.5 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.503 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -76.9 124.48 7.44 Favored 'Trans proline' 0 C--N 1.313 -1.3 0 C-N-CA 122.178 1.919 . . . . 0.0 111.796 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -51.7 122.46 10.39 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.203 1.935 . . . . 0.0 111.959 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -84.67 165.05 12.13 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.343 2.029 . . . . 0.0 112.234 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.787 ' ND2' ' H ' ' A' ' 17' ' ' PHE . 1.6 t30 -62.16 164.95 6.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.475 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.709 ' HB1' ' O ' ' A' ' 19' ' ' GLU . . . -117.83 23.94 11.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.648 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.787 ' H ' ' ND2' ' A' ' 15' ' ' ASN . 58.6 m-85 28.18 89.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.598 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 18' ' ' VAL . 80.9 t 44.09 78.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.411 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 1.282 ' OE1' HG22 ' A' ' 20' ' ' ILE . 0.5 OUTLIER 63.0 -85.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.508 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 1.282 HG22 ' OE1' ' A' ' 19' ' ' GLU . 5.7 tt -177.91 149.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.602 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.984 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -94.55 1.75 66.73 Favored Glycine 0 C--N 1.305 -1.18 0 C-N-CA 118.56 -1.781 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 39.0 mm-40 -125.78 3.05 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.62 0.248 . . . . 0.0 110.577 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER 87.33 -176.95 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.665 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.461 ' N ' ' CG ' ' A' ' 3' ' ' ARG . 2.1 p80 -79.05 72.78 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.658 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER -99.95 -11.64 20.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.582 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -16.19 -49.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.152 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.658 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -58.02 78.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.53 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' A' ' 6' ' ' ILE . 83.6 mm-40 -126.31 76.75 72.83 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -61.7 122.93 11.73 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.949 2.432 . . . . 0.0 111.698 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -88.94 124.83 1.54 Allowed 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.708 2.272 . . . . 0.0 111.967 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.67 127.73 40.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.398 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -75.45 124.28 8.23 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.131 1.888 . . . . 0.0 111.843 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -51.61 122.56 10.51 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 122.31 2.006 . . . . 0.0 112.037 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -83.74 129.93 4.96 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.335 2.023 . . . . 0.0 112.174 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.514 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 2.2 t30 -65.07 164.92 12.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.514 ' N ' ' CG ' ' A' ' 15' ' ' ASN . . . -89.63 74.12 7.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.643 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -87.15 76.56 9.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -126.85 88.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' H ' ' HG3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -103.99 -24.99 13.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.615 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 20' ' ' ILE . 3.6 tt -157.67 137.0 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.56 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.036 -1.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -81.77 -35.83 20.95 Favored Glycine 0 C--N 1.305 -1.154 0 C-N-CA 117.937 -2.078 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 5.8 mt-30 -97.14 -148.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.655 0.264 . . . . 0.0 110.533 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER 87.03 -25.82 0.09 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.653 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -145.59 73.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.584 ' O ' ' C ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER -114.47 139.88 49.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.588 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.584 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -18.65 111.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.894 -179.739 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.422 HG22 ' H ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -90.22 53.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -129.17 74.81 80.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -63.42 123.07 11.48 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 123.048 2.499 . . . . 0.0 111.633 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -88.92 124.77 1.54 Allowed 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.729 2.286 . . . . 0.0 111.915 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.69 125.06 50.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.496 -0.481 . . . . 0.0 110.484 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -76.59 124.42 7.61 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.224 1.95 . . . . 0.0 111.778 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.65 122.54 10.5 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.205 1.936 . . . . 0.0 112.015 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.92 150.98 12.64 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 122.381 2.054 . . . . 0.0 112.205 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.456 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 11.3 t30 -57.63 164.86 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.512 ' O ' ' C ' ' A' ' 17' ' ' PHE . . . -87.86 70.0 9.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.494 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.541 ' O ' ' O ' ' A' ' 18' ' ' VAL . 1.9 m-85 29.63 88.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.535 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.541 ' O ' ' O ' ' A' ' 17' ' ' PHE . 81.4 t 34.34 97.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.586 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.8 164.61 16.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.537 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.84 ' O ' HG23 ' A' ' 20' ' ' ILE . 6.1 tt -146.01 85.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 67.04 34.11 85.73 Favored Glycine 0 C--N 1.305 -1.174 0 C-N-CA 115.857 -3.068 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 33.6 mm-40 -89.52 -13.67 36.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.672 0.273 . . . . 0.0 110.572 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.544 ' O ' ' C ' ' A' ' 4' ' ' HIS . 4.5 ptt-85 87.27 145.01 0.05 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.699 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.544 ' C ' ' O ' ' A' ' 3' ' ' ARG . 33.8 t60 27.18 73.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.605 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.586 ' O ' ' C ' ' A' ' 6' ' ' ILE . 69.2 p -86.82 72.51 10.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.586 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -19.1 111.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.909 -179.8 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.17 76.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -132.91 72.15 77.29 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.544 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -66.17 123.02 10.66 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 123.198 2.599 . . . . 0.0 111.657 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -88.96 124.68 1.52 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.752 2.302 . . . . 0.0 111.938 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.6 127.37 41.92 Favored Pre-proline 0 C--N 1.325 -0.499 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.403 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -76.3 124.36 7.75 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.144 1.896 . . . . 0.0 111.847 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.77 122.56 10.61 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.206 1.937 . . . . 0.0 112.005 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -83.62 164.92 14.13 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.373 2.049 . . . . 0.0 112.2 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -67.41 163.91 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.622 ' O ' ' N ' ' A' ' 18' ' ' VAL . . . -95.37 73.96 3.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.615 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.513 ' C ' ' O ' ' A' ' 16' ' ' ALA . 55.2 m-85 -31.23 88.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.552 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.622 ' N ' ' O ' ' A' ' 16' ' ' ALA . 20.6 t 53.57 82.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 1.328 ' N ' ' OE1' ' A' ' 19' ' ' GLU . 1.5 pm0 -44.19 177.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.529 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.1 pt -117.78 -151.75 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.581 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.103 -1.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 8' ' ' GLN . 7.2 mm100 . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 120.81 0.338 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.89 123.12 11.16 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 123.038 2.492 . . . . 0.0 111.657 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -88.8 124.8 1.58 Allowed 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.683 2.255 . . . . 0.0 111.884 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.77 125.45 48.94 Favored Pre-proline 0 C--N 1.324 -0.518 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.497 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -76.45 124.39 7.67 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.211 1.941 . . . . 0.0 111.88 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.66 122.54 10.5 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.225 1.95 . . . . 0.0 111.982 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -83.81 145.58 11.46 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 122.379 2.053 . . . . 0.0 112.229 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 1.4 m120 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.499 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 120.874 0.368 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -64.02 123.05 11.29 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.068 2.512 . . . . 0.0 111.677 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -88.66 124.89 1.64 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.702 2.268 . . . . 0.0 111.912 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.63 124.91 51.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.515 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -76.99 124.54 7.42 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.179 1.92 . . . . 0.0 111.865 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -51.52 122.54 10.42 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.211 1.941 . . . . 0.0 111.935 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.55 138.37 8.43 Favored 'Trans proline' 0 C--N 1.313 -1.306 0 C-N-CA 122.363 2.042 . . . . 0.0 112.23 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.547 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 . . . . . 0 N--CA 1.462 0.153 0 CA-C-O 120.851 0.358 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.57 123.04 10.85 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.07 2.514 . . . . 0.0 111.714 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -88.9 124.85 1.56 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.685 2.257 . . . . 0.0 111.926 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.71 124.86 51.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.469 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -77.35 124.39 7.1 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.224 1.949 . . . . 0.0 111.846 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.64 122.46 10.36 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 122.191 1.928 . . . . 0.0 111.967 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.59 150.8 13.12 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 122.343 2.029 . . . . 0.0 112.195 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.467 ' C ' ' OD1' ' A' ' 15' ' ' ASN . 2.5 p30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.503 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.83 0.348 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.1 123.0 10.93 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 123.029 2.486 . . . . 0.0 111.685 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -89.16 124.88 1.48 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.731 2.288 . . . . 0.0 111.933 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.59 127.2 42.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.43 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -76.14 124.23 7.76 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.14 1.893 . . . . 0.0 111.841 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.78 122.53 10.56 Favored 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 122.252 1.968 . . . . 0.0 111.986 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -83.73 140.88 9.45 Favored 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.381 2.054 . . . . 0.0 112.086 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.492 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.89 0.376 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -67.67 123.15 10.41 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.232 2.621 . . . . 0.0 111.641 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -88.75 124.72 1.59 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.686 2.258 . . . . 0.0 111.908 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.8 126.34 45.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.464 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -76.53 124.26 7.54 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.148 1.899 . . . . 0.0 111.892 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.63 122.54 10.48 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 122.212 1.942 . . . . 0.0 112.023 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -83.89 136.28 7.03 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 122.381 2.054 . . . . 0.0 112.16 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.813 0.339 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -65.41 122.99 10.83 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.091 2.527 . . . . 0.0 111.572 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -88.84 124.79 1.57 Allowed 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.669 2.246 . . . . 0.0 111.952 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.65 127.08 42.9 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.449 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -76.0 124.3 7.9 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.247 1.965 . . . . 0.0 111.81 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -51.73 122.61 10.67 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.216 1.944 . . . . 0.0 112.024 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -83.76 157.01 13.83 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.323 2.016 . . . . 0.0 112.2 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 m120 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.455 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.432 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 9.4 mm100 . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 120.898 0.38 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 8' ' ' GLN . 19.6 Cg_exo -68.0 123.17 10.35 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.133 2.555 . . . . 0.0 111.725 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -88.76 124.88 1.61 Allowed 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.709 2.273 . . . . 0.0 111.816 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.74 127.1 42.64 Favored Pre-proline 0 C--N 1.325 -0.5 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.503 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -76.9 124.48 7.44 Favored 'Trans proline' 0 C--N 1.313 -1.3 0 C-N-CA 122.178 1.919 . . . . 0.0 111.796 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -51.7 122.46 10.39 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.203 1.935 . . . . 0.0 111.959 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -84.67 165.05 12.13 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.343 2.029 . . . . 0.0 112.234 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.475 179.891 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.794 0.331 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -61.7 122.93 11.73 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.949 2.432 . . . . 0.0 111.698 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -88.94 124.83 1.54 Allowed 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.708 2.272 . . . . 0.0 111.967 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.67 127.73 40.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.398 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -75.45 124.28 8.23 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.131 1.888 . . . . 0.0 111.843 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -51.61 122.56 10.51 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 122.31 2.006 . . . . 0.0 112.037 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -83.74 129.93 4.96 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.335 2.023 . . . . 0.0 112.174 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.895 0.379 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -63.42 123.07 11.48 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 123.048 2.499 . . . . 0.0 111.633 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -88.92 124.77 1.54 Allowed 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.729 2.286 . . . . 0.0 111.915 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.69 125.06 50.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.496 -0.481 . . . . 0.0 110.484 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -76.59 124.42 7.61 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.224 1.95 . . . . 0.0 111.778 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.65 122.54 10.5 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.205 1.936 . . . . 0.0 112.015 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.92 150.98 12.64 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 122.381 2.054 . . . . 0.0 112.205 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 t30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.863 0.363 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -66.17 123.02 10.66 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 123.198 2.599 . . . . 0.0 111.657 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -88.96 124.68 1.52 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.752 2.302 . . . . 0.0 111.938 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.6 127.37 41.92 Favored Pre-proline 0 C--N 1.325 -0.499 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.403 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -76.3 124.36 7.75 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.144 1.896 . . . . 0.0 111.847 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.77 122.56 10.61 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.206 1.937 . . . . 0.0 112.005 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -83.62 164.92 14.13 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.373 2.049 . . . . 0.0 112.2 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 42.7 t30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -175.88 -34.59 0.04 OUTLIER Glycine 0 C--N 1.304 -1.212 0 C-N-CA 118.098 -2.001 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.621 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 5.3 mt-30 -124.6 -50.49 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.318 . . . . 0.0 110.556 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.621 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER 151.26 142.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.25 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.477 ' ND1' ' N ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -138.59 -169.14 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.578 ' O ' ' C ' ' A' ' 6' ' ' ILE . 10.1 p -62.17 137.91 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.646 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.578 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -18.52 111.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.945 -179.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.48 91.51 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.587 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 8' ' ' GLN . 7.2 mm100 -130.81 73.63 80.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.551 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.89 123.12 11.16 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 123.038 2.492 . . . . 0.0 111.657 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -88.8 124.8 1.58 Allowed 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.683 2.255 . . . . 0.0 111.884 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.77 125.45 48.94 Favored Pre-proline 0 C--N 1.324 -0.518 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.497 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -76.45 124.39 7.67 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.211 1.941 . . . . 0.0 111.88 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.66 122.54 10.5 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.225 1.95 . . . . 0.0 111.982 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -83.81 145.58 11.46 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 122.379 2.053 . . . . 0.0 112.229 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 1.4 m120 -70.99 152.37 43.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.499 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.89 157.98 16.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.741 0.305 . . . . 0.0 110.498 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.39 100.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.564 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t 59.41 82.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.576 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.41 -58.49 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -99.78 -76.42 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.073 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -93.07 -4.95 64.4 Favored Glycine 0 C--N 1.305 -1.173 0 C-N-CA 118.728 -1.701 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.616 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 12.0 mm-40 -80.23 -35.6 35.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.557 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.616 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER 151.8 142.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.462 ' CA ' ' HE ' ' A' ' 3' ' ' ARG . 3.1 t60 -153.35 -164.04 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.607 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.632 ' O ' ' N ' ' A' ' 7' ' ' VAL . 57.2 p -79.93 52.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.554 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.65 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -17.48 -49.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.174 -179.814 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.632 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -47.53 81.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.563 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.65 ' N ' ' O ' ' A' ' 6' ' ' ILE . 39.9 mm-40 -130.14 74.19 80.68 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.518 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -64.02 123.05 11.29 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.068 2.512 . . . . 0.0 111.677 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -88.66 124.89 1.64 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.702 2.268 . . . . 0.0 111.912 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.63 124.91 51.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.515 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -76.99 124.54 7.42 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.179 1.92 . . . . 0.0 111.865 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -51.52 122.54 10.42 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.211 1.941 . . . . 0.0 111.935 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.55 138.37 8.43 Favored 'Trans proline' 0 C--N 1.313 -1.306 0 C-N-CA 122.363 2.042 . . . . 0.0 112.23 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.491 ' OD1' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -60.25 158.7 11.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.547 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.677 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -125.63 75.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.554 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.687 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -59.89 82.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 16' ' ' ALA . 2.0 t -128.99 78.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' H ' ' HG3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -112.28 166.06 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.594 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.2 pt -130.89 22.92 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.531 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.038 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 170.35 32.03 0.02 OUTLIER Glycine 0 C--N 1.305 -1.139 0 C-N-CA 117.689 -2.196 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.623 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 8.5 mm100 -86.29 -53.43 5.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 110.629 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.623 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER 151.51 142.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.217 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.494 ' HA ' ' HE ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -172.22 -174.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.577 ' O ' ' C ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -57.77 120.18 7.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.615 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.577 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -18.73 111.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.937 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.412 HG22 ' H ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -91.0 72.06 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 -179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -132.3 72.51 78.46 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.537 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.57 123.04 10.85 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.07 2.514 . . . . 0.0 111.714 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -88.9 124.85 1.56 Allowed 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.685 2.257 . . . . 0.0 111.926 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.71 124.86 51.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.469 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -77.35 124.39 7.1 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.224 1.949 . . . . 0.0 111.846 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.64 122.46 10.36 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 122.191 1.928 . . . . 0.0 111.967 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.59 150.8 13.12 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 122.343 2.029 . . . . 0.0 112.195 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.467 ' C ' ' OD1' ' A' ' 15' ' ' ASN . 2.5 p30 -65.0 156.51 31.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.503 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.72 7.82 4.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.592 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -122.74 92.76 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.639 ' O ' ' N ' ' A' ' 20' ' ' ILE . 3.4 t -138.94 83.02 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.616 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' O ' ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -54.64 74.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.639 ' N ' ' O ' ' A' ' 18' ' ' VAL . 6.5 mt 61.33 145.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 120.035 -1.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -166.16 31.73 0.21 Allowed Glycine 0 C--N 1.305 -1.148 0 C-N-CA 118.049 -2.024 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.511 ' O ' ' C ' ' A' ' 3' ' ' ARG . 13.3 mt-30 -130.91 22.67 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.577 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.511 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER 29.59 62.79 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.48 -179.775 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.514 ' N ' ' ND1' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -32.11 -62.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.558 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.645 ' O ' ' N ' ' A' ' 7' ' ' VAL . 8.1 p -87.51 54.33 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.588 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.584 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -17.67 -48.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.091 -179.788 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.645 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -52.04 82.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.57 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.581 ' N ' ' O ' ' A' ' 6' ' ' ILE . 14.0 mm100 -131.69 73.08 79.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.497 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.1 123.0 10.93 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 123.029 2.486 . . . . 0.0 111.685 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -89.16 124.88 1.48 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.731 2.288 . . . . 0.0 111.933 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.59 127.2 42.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.43 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -76.14 124.23 7.76 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.14 1.893 . . . . 0.0 111.841 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.78 122.53 10.56 Favored 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 122.252 1.968 . . . . 0.0 111.986 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -83.73 140.88 9.45 Favored 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.381 2.054 . . . . 0.0 112.086 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.818 ' ND2' ' H ' ' A' ' 17' ' ' PHE . 2.9 t-20 -55.3 154.3 6.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.492 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.602 ' H ' ' ND2' ' A' ' 15' ' ' ASN . . . -141.82 22.0 2.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.611 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.818 ' H ' ' ND2' ' A' ' 15' ' ' ASN . 2.0 m-85 -116.8 97.45 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.553 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -143.71 81.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.571 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.558 ' OE2' HG22 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -122.64 -30.64 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.581 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.558 HG22 ' OE2' ' A' ' 19' ' ' GLU . 5.2 tt -157.55 129.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.033 -1.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -153.25 -31.99 0.03 OUTLIER Glycine 0 C--N 1.305 -1.181 0 O-C-N 120.019 -1.676 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.578 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 1.9 mm-40 -110.33 -79.56 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.583 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.578 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER 154.72 -35.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.555 ' C ' ' O ' ' A' ' 3' ' ' ARG . 7.0 m80 24.74 -98.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.777 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.58 ' O ' ' C ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER -140.86 44.62 1.81 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.599 -179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.58 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -17.64 111.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.026 -179.804 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.85 24.07 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.612 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -133.93 71.23 74.14 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.596 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -67.67 123.15 10.41 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.232 2.621 . . . . 0.0 111.641 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -88.75 124.72 1.59 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.686 2.258 . . . . 0.0 111.908 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.8 126.34 45.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.464 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -76.53 124.26 7.54 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.148 1.899 . . . . 0.0 111.892 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -51.63 122.54 10.48 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 122.212 1.942 . . . . 0.0 112.023 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -83.89 136.28 7.03 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 122.381 2.054 . . . . 0.0 112.16 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 17' ' ' PHE . 7.6 t-20 -64.39 164.94 10.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.517 ' O ' ' C ' ' A' ' 17' ' ' PHE . . . -112.54 52.8 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.635 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.517 ' C ' ' O ' ' A' ' 16' ' ' ALA . 2.9 m-85 30.6 89.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.632 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.4 t 56.44 94.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.851 ' H ' ' CD ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -104.05 8.26 36.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.4 mt 61.18 -43.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.532 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.598 ' N ' ' O ' ' A' ' 19' ' ' GLU . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.084 -1.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -133.37 31.8 2.82 Favored Glycine 0 C--N 1.305 -1.159 0 O-C-N 119.987 -1.696 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.534 ' O ' ' C ' ' A' ' 3' ' ' ARG . 37.5 mt-30 -141.5 -132.26 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.736 0.303 . . . . 0.0 110.618 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.534 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER 29.07 -128.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.447 -179.75 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.638 ' ND1' ' N ' ' A' ' 4' ' ' HIS . 0.1 OUTLIER -127.4 167.8 15.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.535 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.618 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -84.31 125.32 32.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.584 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.586 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -16.41 -51.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.193 -179.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.618 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.2 OUTLIER -91.87 52.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.562 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.59 ' N ' ' O ' ' A' ' 5' ' ' SER . 23.4 mm100 -132.18 72.82 78.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.499 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -65.41 122.99 10.83 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.091 2.527 . . . . 0.0 111.572 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -88.84 124.79 1.57 Allowed 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.669 2.246 . . . . 0.0 111.952 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.65 127.08 42.9 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.449 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -76.0 124.3 7.9 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.247 1.965 . . . . 0.0 111.81 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -51.73 122.61 10.67 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.216 1.944 . . . . 0.0 112.024 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -83.76 157.01 13.83 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.323 2.016 . . . . 0.0 112.2 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -65.72 152.28 44.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.455 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.92 11.27 8.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.789 0.328 . . . . 0.0 110.557 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -89.31 77.11 7.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.7 t -147.27 84.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.571 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.725 ' H ' ' CD ' ' A' ' 19' ' ' GLU . 4.6 pm0 -107.69 177.8 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.494 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 tt -152.58 -26.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.609 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.015 -1.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 108.0 5.31 33.17 Favored Glycine 0 C--N 1.305 -1.189 0 O-C-N 120.028 -1.67 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.527 ' O ' ' C ' ' A' ' 3' ' ' ARG . 4.3 mm-40 -128.68 -66.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.734 0.302 . . . . 0.0 110.576 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.536 ' O ' ' C ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER 29.35 -124.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.478 -179.82 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.617 ' O ' ' CG ' ' A' ' 4' ' ' HIS . 15.5 t60 27.58 72.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.604 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.672 ' O ' ' N ' ' A' ' 7' ' ' VAL . 13.8 p -71.72 68.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.553 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.646 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -17.82 -46.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.171 -179.748 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.672 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -60.17 59.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.619 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.646 ' N ' ' O ' ' A' ' 6' ' ' ILE . 9.4 mm100 -137.95 67.72 49.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.511 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 8' ' ' GLN . 19.6 Cg_exo -68.0 123.17 10.35 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.133 2.555 . . . . 0.0 111.725 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -88.76 124.88 1.61 Allowed 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.709 2.273 . . . . 0.0 111.816 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.74 127.1 42.64 Favored Pre-proline 0 C--N 1.325 -0.5 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.503 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -76.9 124.48 7.44 Favored 'Trans proline' 0 C--N 1.313 -1.3 0 C-N-CA 122.178 1.919 . . . . 0.0 111.796 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -51.7 122.46 10.39 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.203 1.935 . . . . 0.0 111.959 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -84.67 165.05 12.13 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.343 2.029 . . . . 0.0 112.234 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.787 ' ND2' ' H ' ' A' ' 17' ' ' PHE . 1.6 t30 -62.16 164.95 6.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.475 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.709 ' HB1' ' O ' ' A' ' 19' ' ' GLU . . . -117.83 23.94 11.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.648 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.787 ' H ' ' ND2' ' A' ' 15' ' ' ASN . 58.6 m-85 28.18 89.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.598 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 18' ' ' VAL . 80.9 t 44.09 78.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.411 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 1.282 ' OE1' HG22 ' A' ' 20' ' ' ILE . 0.5 OUTLIER 63.0 -85.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.508 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 1.282 HG22 ' OE1' ' A' ' 19' ' ' GLU . 5.7 tt -177.91 149.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.602 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.984 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -94.55 1.75 66.73 Favored Glycine 0 C--N 1.305 -1.18 0 C-N-CA 118.56 -1.781 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 39.0 mm-40 -125.78 3.05 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.62 0.248 . . . . 0.0 110.577 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER 87.33 -176.95 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.665 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.461 ' N ' ' CG ' ' A' ' 3' ' ' ARG . 2.1 p80 -79.05 72.78 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.658 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER -99.95 -11.64 20.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.582 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -16.19 -49.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.152 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.658 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -58.02 78.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.53 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' A' ' 6' ' ' ILE . 16.9 mm100 -126.31 76.75 72.83 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -61.7 122.93 11.73 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.949 2.432 . . . . 0.0 111.698 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -88.94 124.83 1.54 Allowed 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.708 2.272 . . . . 0.0 111.967 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.67 127.73 40.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.398 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -75.45 124.28 8.23 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.131 1.888 . . . . 0.0 111.843 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -51.61 122.56 10.51 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 122.31 2.006 . . . . 0.0 112.037 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -83.74 129.93 4.96 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.335 2.023 . . . . 0.0 112.174 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.627 ' ND2' ' H ' ' A' ' 16' ' ' ALA . 2.4 t-20 -65.07 164.92 12.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.627 ' H ' ' ND2' ' A' ' 15' ' ' ASN . . . -89.63 74.12 7.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.643 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -87.15 76.56 9.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -126.85 88.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' H ' ' HG3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -103.99 -24.99 13.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.615 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 20' ' ' ILE . 3.6 tt -157.67 137.0 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.56 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.036 -1.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -81.77 -35.83 20.95 Favored Glycine 0 C--N 1.305 -1.154 0 C-N-CA 117.937 -2.078 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 5.8 mt-30 -97.14 -148.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.655 0.264 . . . . 0.0 110.533 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER 87.03 -25.82 0.09 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.653 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -145.59 73.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.584 ' O ' ' C ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER -114.47 139.88 49.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.588 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.584 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -18.65 111.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.894 -179.739 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.422 HG22 ' H ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -90.22 53.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -129.17 74.81 80.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.648 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -63.42 123.07 11.48 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 123.048 2.499 . . . . 0.0 111.633 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -88.92 124.77 1.54 Allowed 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.729 2.286 . . . . 0.0 111.915 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.69 125.06 50.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.496 -0.481 . . . . 0.0 110.484 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -76.59 124.42 7.61 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.224 1.95 . . . . 0.0 111.778 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.65 122.54 10.5 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.205 1.936 . . . . 0.0 112.015 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.92 150.98 12.64 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 122.381 2.054 . . . . 0.0 112.205 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.456 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 11.3 t30 -57.63 164.86 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.512 ' O ' ' C ' ' A' ' 17' ' ' PHE . . . -87.86 70.0 9.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.494 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.541 ' O ' ' O ' ' A' ' 18' ' ' VAL . 1.9 m-85 29.63 88.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.535 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.541 ' O ' ' O ' ' A' ' 17' ' ' PHE . 81.4 t 34.34 97.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.586 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.8 164.61 16.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.537 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.84 ' O ' HG23 ' A' ' 20' ' ' ILE . 6.1 tt -146.01 85.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.066 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 67.04 34.11 85.73 Favored Glycine 0 C--N 1.305 -1.174 0 C-N-CA 115.857 -3.068 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 33.6 mm-40 -89.52 -13.67 36.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.672 0.273 . . . . 0.0 110.572 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.544 ' O ' ' C ' ' A' ' 4' ' ' HIS . 4.5 ptt-85 87.27 145.01 0.05 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.699 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.544 ' C ' ' O ' ' A' ' 3' ' ' ARG . 33.8 t60 27.18 73.66 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.605 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.586 ' O ' ' C ' ' A' ' 6' ' ' ILE . 69.2 p -86.82 72.51 10.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.586 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -19.1 111.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.909 -179.8 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -79.17 76.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -132.91 72.15 77.29 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.544 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -66.17 123.02 10.66 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 123.198 2.599 . . . . 0.0 111.657 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -88.96 124.68 1.52 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 C-N-CA 122.752 2.302 . . . . 0.0 111.938 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.6 127.37 41.92 Favored Pre-proline 0 C--N 1.325 -0.499 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.403 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -76.3 124.36 7.75 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.144 1.896 . . . . 0.0 111.847 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.77 122.56 10.61 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.206 1.937 . . . . 0.0 112.005 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -83.62 164.92 14.13 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.373 2.049 . . . . 0.0 112.2 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -67.41 163.91 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.622 ' O ' ' N ' ' A' ' 18' ' ' VAL . . . -95.37 73.96 3.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.615 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.513 ' C ' ' O ' ' A' ' 16' ' ' ALA . 55.2 m-85 -31.23 88.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.552 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.622 ' N ' ' O ' ' A' ' 16' ' ' ALA . 20.6 t 53.57 82.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 1.328 ' N ' ' OE1' ' A' ' 19' ' ' GLU . 1.5 pm0 -44.19 177.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.529 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.1 pt -117.78 -151.75 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.581 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.103 -1.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_