data_7jvf_residue ############################ # Computer software used # ############################ 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 7jvf _Structure_validation_residue.Date_analyzed 2020-09-04 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 ' 5' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.864 0.364 . . . . 0.0 110.834 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.643 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 24.5 Cg_exo . . . . . 0 C--N 1.304 -1.781 0 C-N-CA 122.732 2.288 . . . . 0.0 111.534 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.582 HD23 ' CZ3' ' A' ' 14' ' ' TRP . 1.9 mm? . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.533 ' HG3' ' HA ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.211 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.627 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.528 0.888 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.643 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -163.12 -155.41 0.33 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.606 0.717 . . . . 0.0 111.448 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.591 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -132.82 17.69 4.62 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.406 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.624 ' N ' ' CD1' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -39.76 -109.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.608 -0.296 . . . . 0.0 111.214 -179.509 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.59 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.452 0 CA-C-O 120.885 0.374 . . . . 0.0 110.336 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.51 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.9 mt -111.26 34.47 4.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.793 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.9 t 42.13 86.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.7 m -109.78 -2.59 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.27 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 61.8 ttp180 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.441 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.67 ' CD1' ' SD ' ' A' ' 9' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.378 0 CA-C-O 120.657 0.265 . . . . 0.0 110.71 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 25.4 Cg_exo . . . . . 0 N--CA 1.497 1.697 0 C-N-CA 122.869 2.379 . . . . 0.0 112.035 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.652 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 2.2 mm? . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.67 ' SD ' ' CD1' ' A' ' 5' ' ' ILE . 2.8 mtm . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.417 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.727 ' N ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.528 0.869 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.565 ' SG ' ' C ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -159.18 -156.37 0.52 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.775 0.798 . . . . 0.0 111.178 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 14' ' ' TRP . . . -124.01 10.85 8.3 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.65 ' N ' ' CD1' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -16.51 -104.59 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 114.944 -0.628 . . . . 0.0 111.045 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.604 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 CA-C-O 121.015 0.436 . . . . 0.0 109.97 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.553 ' O ' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 92.0 mt -106.54 4.2 27.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.97 0.414 . . . . 0.0 110.066 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.727 ' SG ' ' N ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER 74.86 60.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.151 -179.537 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.47 -45.68 98.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.6 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HB3' ' HH2' ' A' ' 14' ' ' TRP . 53.6 ttp180 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.677 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.653 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.464 0.225 0 CA-C-O 120.735 0.303 . . . . 0.0 110.798 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 36.0 Cg_exo . . . . . 0 C--N 1.305 -1.749 0 C-N-CA 122.891 2.394 . . . . 0.0 111.531 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.598 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 26.2 mt . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.599 ' SD ' HD12 ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.638 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.568 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.596 ' CB ' ' O ' ' A' ' 6' ' ' PRO . 1.6 m -160.06 -150.91 0.23 Allowed 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.756 0.789 . . . . 0.0 111.108 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.621 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -134.42 1.06 3.99 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 109.211 -1.556 . . . . 0.0 109.211 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.625 ' N ' ' CD1' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -14.59 -113.29 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 114.867 -0.666 . . . . 0.0 111.925 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.586 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 121.042 0.448 . . . . 0.0 110.007 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.493 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.733 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.529 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 10.5 mp -96.39 3.17 53.06 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.149 -0.22 . . . . 0.0 111.069 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.612 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 7.8 t 67.82 65.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 110.423 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -64.08 -42.04 94.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.763 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' HD2' ' HH2' ' A' ' 14' ' ' TRP . 84.3 mtt85 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.485 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.67 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.696 0.284 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.1 Cg_exo . . . . . 0 C--N 1.305 -1.737 0 C-N-CA 122.755 2.303 . . . . 0.0 111.514 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.585 ' HA ' ' CZ3' ' A' ' 14' ' ' TRP . 23.9 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.623 ' SD ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.161 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.612 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.612 ' SG ' ' C ' ' A' ' 11' ' ' GLY . 1.6 m -161.01 -152.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.503 0.668 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.611 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -130.48 1.55 5.66 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 178.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.627 ' N ' ' CD1' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -17.23 -108.67 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.072 -0.564 . . . . 0.0 111.488 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.593 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.367 . . . . 0.0 110.262 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.51 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.524 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 10.8 mp -103.28 7.17 38.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.478 0.18 . . . . 0.0 111.139 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 50.4 t 72.83 54.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.941 0.401 . . . . 0.0 110.298 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 t -63.84 -44.18 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.283 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.622 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.607 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 120.924 0.393 . . . . 0.0 110.964 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.624 ' O ' ' HB3' ' A' ' 14' ' ' TRP . 16.9 Cg_exo . . . . . 0 C--N 1.303 -1.861 0 C-N-CA 122.829 2.353 . . . . 0.0 111.216 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.589 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 1.1 mm? . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.591 ' HG3' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.382 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.569 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 N--CA 1.444 -0.791 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.613 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.4 m -158.81 -150.27 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.395 0.617 . . . . 0.0 111.196 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -134.97 17.83 4.08 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.624 ' HB3' ' O ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -46.69 -114.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.366 -0.417 . . . . 0.0 111.572 -178.815 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.585 HD22 ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.565 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.728 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 96.6 mt -101.54 -0.91 34.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.748 0.308 . . . . 0.0 110.929 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 9.4 t 77.7 89.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.779 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 t -105.16 -14.95 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.368 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.589 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 60.0 ttp180 . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.577 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.464 0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.716 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.676 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 31.5 Cg_exo . . . . . 0 C--N 1.303 -1.84 0 C-N-CA 122.452 2.102 . . . . 0.0 111.407 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 CA--C 1.518 -0.258 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.598 ' SD ' HD13 ' A' ' 5' ' ' ILE . 72.4 mtp . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.74 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.554 ' N ' ' HB2' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.676 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 22.7 p -142.31 -152.89 0.43 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.298 0.571 . . . . 0.0 110.589 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.592 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -126.66 -1.26 7.08 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 178.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.602 ' CE3' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -14.41 -108.76 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.079 -0.56 . . . . 0.0 111.333 -179.615 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.602 HD22 ' CE3' ' A' ' 14' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 121.016 0.436 . . . . 0.0 110.003 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.52 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.766 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.599 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -163.45 82.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.599 ' C ' ' O ' ' A' ' 18' ' ' LEU . 14.9 t 14.92 66.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.204 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.31 -44.48 97.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.318 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.512 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 59.3 ttm-85 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.609 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.719 0.295 . . . . 0.0 110.783 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.693 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 32.4 Cg_exo . . . . . 0 C--N 1.3 -1.985 0 C-N-CA 122.548 2.165 . . . . 0.0 111.06 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 CA--C 1.52 -0.2 0 CA-C-O 121.423 0.63 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.578 ' SD ' HD13 ' A' ' 5' ' ' ILE . 70.7 mtp . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.216 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.404 ' N ' ' HB2' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.528 0.864 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.693 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 27.3 p -144.58 -150.69 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.264 0.555 . . . . 0.0 110.816 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.596 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -128.17 -2.31 6.04 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.596 ' O ' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -16.26 -107.56 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.439 -0.38 . . . . 0.0 111.304 -179.685 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.599 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.958 0.408 . . . . 0.0 110.029 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.546 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.584 ' O ' ' C ' ' A' ' 19' ' ' CYS . 75.5 mt 76.21 61.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.666 0.27 . . . . 0.0 110.502 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.584 ' C ' ' O ' ' A' ' 18' ' ' LEU . 5.6 t 19.87 88.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.069 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.7 t -103.26 -15.88 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.506 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.562 -179.913 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.688 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 18.0 mm . . . . . 0 N--CA 1.467 0.413 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.688 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 19.4 Cg_endo . . . . . 0 C--N 1.303 -1.86 0 C-N-CA 122.134 1.889 . . . . 0.0 111.639 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.622 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 10.3 mt . . . . . 0 CA--C 1.514 -0.421 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.509 ' SD ' HD12 ' A' ' 5' ' ' ILE . 49.8 mtm . . . . . 0 N--CA 1.451 -0.377 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.551 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.526 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 N--CA 1.442 -0.964 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.526 ' SG ' ' C ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -153.02 -157.5 0.8 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.268 0.556 . . . . 0.0 111.31 -179.272 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.549 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -121.39 4.78 11.05 Favored Glycine 0 N--CA 1.46 0.239 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.641 ' CE3' ' O ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -45.78 -179.21 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.078 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.634 HD21 ' CG ' ' A' ' 14' ' ' TRP . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.07 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.7 mt -101.59 0.34 36.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 110.541 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t 62.44 94.14 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.601 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.576 ' O ' ' C ' ' A' ' 21' ' ' ARG . 2.8 m -112.47 -0.52 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.727 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.622 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 17.2 ptp180 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.708 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 21.7 mm . . . . . 0 N--CA 1.466 0.356 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 9.8 Cg_endo . . . . . 0 C--N 1.307 -1.61 0 C-N-CA 121.596 1.531 . . . . 0.0 110.949 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.539 ' CD2' ' HE3' ' A' ' 14' ' ' TRP . 21.2 mt . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.9 mmm . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.825 179.155 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.714 ' N ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.527 0.784 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.638 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 2.3 m -153.14 -147.47 0.22 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.637 0.732 . . . . 0.0 111.184 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.602 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -134.9 20.98 3.77 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 108.779 -1.728 . . . . 0.0 108.779 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.638 ' CG ' HD21 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -42.01 178.99 0.0 OUTLIER 'General case' 0 N--CA 1.46 0.065 0 CA-C-N 115.2 -0.5 . . . . 0.0 109.946 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.642 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 1.2 pt? . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.613 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.453 ' O ' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 87.1 mt -101.26 -0.03 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.463 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.714 ' SG ' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 76.13 83.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.413 -179.724 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.461 ' N ' ' HZ2' ' A' ' 14' ' ' TRP . 96.8 t -61.97 -45.42 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.468 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.61 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.698 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 20.0 mm . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.698 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 30.8 Cg_endo . . . . . 0 C--N 1.302 -1.897 0 C-N-CA 122.364 2.043 . . . . 0.0 111.75 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 2.4 mt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.609 ' SD ' HD12 ' A' ' 5' ' ' ILE . 52.0 mtp . . . . . 0 N--CA 1.454 -0.268 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.188 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.615 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 N--CA 1.445 -0.725 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -160.37 -153.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.535 0.683 . . . . 0.0 111.823 -179.515 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.569 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -132.2 16.44 4.93 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.646 ' HB3' ' O ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -45.73 -114.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.018 0.437 . . . . 0.0 111.429 -179.243 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.598 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.516 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.2 mt -103.6 9.36 37.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 110.704 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 t 62.12 84.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.496 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 m -111.18 -4.53 11.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.464 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.475 ' HG2' ' OXT' ' A' ' 21' ' ' ARG . 69.4 ttt180 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.502 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.253 0.073 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.57 ' C ' ' HB3' ' A' ' 14' ' ' TRP . 13.3 Cg_exo . . . . . 0 C--N 1.308 -1.563 0 C-N-CA 122.031 1.82 . . . . 0.0 111.234 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.606 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 29.5 mt . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.511 ' HG3' ' HA ' ' A' ' 5' ' ' ILE . 43.0 mtm . . . . . 0 N--CA 1.451 -0.402 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.728 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.632 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.531 1.091 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.632 ' SG ' ' C ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -159.91 -159.22 0.7 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.419 0.628 . . . . 0.0 111.289 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.58 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -126.55 5.26 7.59 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.622 ' N ' ' CD1' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -16.37 -107.42 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.959 -0.62 . . . . 0.0 111.473 179.774 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.581 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.867 0.365 . . . . 0.0 110.11 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.729 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.586 ' O ' ' CB ' ' A' ' 19' ' ' CYS . 81.1 mt -96.57 -57.26 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.586 ' CB ' ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER 154.62 122.9 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.259 -179.584 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.578 ' HB ' ' CZ2' ' A' ' 14' ' ' TRP . 34.6 t -131.62 70.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.175 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.565 ' OXT' ' O ' ' A' ' 8' ' ' LEU . 4.6 tpt180 . . . . . 0 C--O 1.222 -0.38 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.709 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.68 ' CD1' ' SD ' ' A' ' 9' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.155 0 CA-C-O 120.664 0.268 . . . . 0.0 110.969 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 10.6 Cg_exo . . . . . 0 C--N 1.305 -1.729 0 C-N-CA 122.54 2.16 . . . . 0.0 112.43 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.511 ' CD2' ' HE3' ' A' ' 14' ' ' TRP . 3.2 mt . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.68 ' SD ' ' CD1' ' A' ' 5' ' ' ILE . 65.9 mtp . . . . . 0 N--CA 1.451 -0.381 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.294 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.518 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.775 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.3 m -157.37 -151.73 0.32 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.658 0.742 . . . . 0.0 111.206 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -136.07 16.3 3.94 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 178.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.616 ' N ' ' CD1' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -31.65 -104.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.128 -0.536 . . . . 0.0 111.543 -179.203 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.635 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.672 0.273 . . . . 0.0 110.643 -178.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.52 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.527 0.806 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.571 ' O ' ' C ' ' A' ' 19' ' ' CYS . 86.3 mt 59.73 59.2 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.718 0.295 . . . . 0.0 110.422 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.571 ' C ' ' O ' ' A' ' 18' ' ' LEU . 49.1 t 19.56 92.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.401 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 m -111.11 -5.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.594 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.627 -179.859 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.61 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 12.4 mm . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.679 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 31.7 Cg_exo . . . . . 0 C--N 1.298 -2.079 0 C-N-CA 121.509 1.472 . . . . 0.0 110.449 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.578 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 7.2 mt . . . . . 0 CA--C 1.517 -0.32 0 CA-C-O 121.269 0.557 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.599 ' SD ' HD11 ' A' ' 5' ' ' ILE . 64.1 mtp . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.855 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 29.5 p -143.82 -158.95 0.93 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.511 0.672 . . . . 0.0 111.029 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.575 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -124.38 14.02 7.81 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 177.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.635 ' CG ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -41.89 176.03 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 114.735 -0.732 . . . . 0.0 110.178 -179.761 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.635 HD22 ' CG ' ' A' ' 14' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.52 0.399 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' A' ' 20' ' ' VAL . 87.5 mt -129.44 105.19 7.93 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.552 ' C ' ' O ' ' A' ' 18' ' ' LEU . 4.6 t -28.92 91.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.045 0.45 . . . . 0.0 110.392 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.595 ' N ' ' O ' ' A' ' 18' ' ' LEU . 2.9 m -107.68 -2.91 10.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.377 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.519 179.759 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.615 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.63 0.252 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.681 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 34.0 Cg_exo . . . . . 0 C--N 1.302 -1.907 0 C-N-CA 122.183 1.922 . . . . 0.0 110.563 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.602 ' SD ' ' HA ' ' A' ' 5' ' ' ILE . 70.2 mtp . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.481 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.752 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.707 ' SG ' ' CD1' ' A' ' 14' ' ' TRP . 26.1 p -146.25 -154.79 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.241 0.543 . . . . 0.0 110.766 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -125.92 -5.21 6.4 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.707 ' CD1' ' SG ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -13.95 -110.79 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.192 -0.504 . . . . 0.0 111.577 -179.537 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.605 ' N ' ' CG ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 120.803 0.335 . . . . 0.0 110.181 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.514 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 97.8 mt -113.1 -0.1 14.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.754 0.311 . . . . 0.0 111.05 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 19.1 t 81.73 77.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.192 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.579 ' O ' ' C ' ' A' ' 21' ' ' ARG . 13.8 m -109.06 -12.53 10.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.694 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 20' ' ' VAL . 9.0 ptm180 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.09 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.603 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.851 0.358 . . . . 0.0 110.424 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 26.5 Cg_exo . . . . . 0 C--N 1.303 -1.842 0 C-N-CA 122.772 2.315 . . . . 0.0 110.965 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.428 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 3.6 mt . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.603 ' SD ' ' HA ' ' A' ' 5' ' ' ILE . 2.7 ptm . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.901 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.68 ' N ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.528 0.901 0 N-CA-C 112.409 -0.276 . . . . 0.0 112.409 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.732 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 21.7 p -137.46 -168.56 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.192 0.52 . . . . 0.0 110.612 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -123.48 3.83 9.46 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 109.097 -1.601 . . . . 0.0 109.097 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.607 ' O ' ' O ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -16.41 -109.98 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 114.849 -0.675 . . . . 0.0 111.577 -179.528 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.574 HD21 ' CE3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.568 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.522 0.531 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 46.2 tp -94.47 -3.27 50.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.089 0.471 . . . . 0.0 109.952 179.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.732 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 73.37 68.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.331 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 t -63.48 -44.21 98.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.479 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.554 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.567 HD11 ' SD ' ' A' ' 9' ' ' MET . 25.0 mm . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 111.414 0.153 . . . . 0.0 111.414 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.675 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 9.9 Cg_exo . . . . . 0 C--N 1.311 -1.406 0 C-N-CA 122.625 2.216 . . . . 0.0 112.003 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.599 HD21 ' CE3' ' A' ' 14' ' ' TRP . 4.4 mt . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.567 ' SD ' HD11 ' A' ' 5' ' ' ILE . 32.3 mtm . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.358 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.599 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.527 0.804 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.675 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -161.83 -154.74 0.35 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.542 0.687 . . . . 0.0 111.48 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.558 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -132.36 20.25 4.46 Favored Glycine 0 CA--C 1.523 0.556 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.415 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.634 ' HB3' ' O ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -45.72 -112.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.734 0.302 . . . . 0.0 111.175 -179.636 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.604 HD22 ' CE3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 120.817 0.341 . . . . 0.0 110.327 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.498 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.735 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.528 ' O ' ' O ' ' A' ' 19' ' ' CYS . 4.4 mp -149.04 36.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.517 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.528 ' O ' ' O ' ' A' ' 18' ' ' LEU . 5.9 t 33.27 97.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.089 0.471 . . . . 0.0 110.814 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.501 ' O ' ' OXT' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -110.21 -12.97 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.396 179.79 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.501 ' OXT' ' O ' ' A' ' 20' ' ' VAL . 9.7 ptm180 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.603 ' H ' ' HD2' ' A' ' 6' ' ' PRO . 1.1 mp . . . . . 0 N--CA 1.456 -0.138 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.715 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 42.6 Cg_exo . . . . . 0 C--N 1.303 -1.828 0 C-N-CA 121.804 1.669 . . . . 0.0 110.836 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.457 ' CD2' ' CZ3' ' A' ' 14' ' ' TRP . 3.5 mt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.599 ' CG ' ' HA ' ' A' ' 5' ' ' ILE . 44.1 mtm . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.46 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.73 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.715 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 28.3 p -151.39 -158.84 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.447 0.641 . . . . 0.0 111.281 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.571 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -119.02 7.59 12.84 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.671 ' CE3' ' CD2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -44.07 179.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.314 -0.443 . . . . 0.0 109.97 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.671 ' CD2' ' CE3' ' A' ' 14' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.477 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.545 ' O ' ' C ' ' A' ' 19' ' ' CYS . 95.7 mt -108.47 31.34 5.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.917 0.389 . . . . 0.0 110.452 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.545 ' C ' ' O ' ' A' ' 18' ' ' LEU . 5.9 t 27.15 81.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.42 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ARG . 10.5 m -97.46 -5.89 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.533 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' VAL . 12.1 ptt180 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.506 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 121.082 0.468 . . . . 0.0 110.544 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.69 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 31.2 Cg_exo . . . . . 0 C--N 1.301 -1.969 0 C-N-CA 122.91 2.406 . . . . 0.0 111.816 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.544 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 121.004 0.431 . . . . 0.0 110.217 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.524 ' CG ' ' HA ' ' A' ' 5' ' ' ILE . 1.5 mmt . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.898 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.709 ' SG ' ' CD1' ' A' ' 14' ' ' TRP . 21.7 p -162.5 -163.77 0.94 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.379 0.609 . . . . 0.0 111.502 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.583 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -122.63 21.15 7.65 Favored Glycine 0 CA--C 1.522 0.516 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.524 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.709 ' CD1' ' SG ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -47.02 -114.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.921 0.391 . . . . 0.0 110.751 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.606 ' N ' ' CG ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.486 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.556 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.522 0.497 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 95.9 mt -100.46 4.4 43.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.717 0.294 . . . . 0.0 110.607 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 29.8 t 70.77 80.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.502 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.76 -44.43 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.828 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.533 0 CA-C-O 121.12 0.486 . . . . 0.0 110.135 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.657 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 46.7 Cg_exo . . . . . 0 C--N 1.3 -1.994 0 C-N-CA 122.037 1.825 . . . . 0.0 111.838 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.609 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 3.1 mm? . . . . . 0 CA--C 1.515 -0.391 0 CA-C-O 121.684 0.754 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.6 ' HG3' ' O ' ' A' ' 5' ' ' ILE . 20.1 mmt . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.339 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.657 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 1.5 p -160.53 173.83 14.96 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.545 ' HA2' ' HA2' ' A' ' 17' ' ' GLY . . . -98.53 40.12 2.56 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 110.041 -1.223 . . . . 0.0 110.041 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.65 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -62.36 -115.44 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.724 0.297 . . . . 0.0 111.021 -179.165 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.609 HD22 ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.545 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.553 ' O ' ' C ' ' A' ' 19' ' ' CYS . 91.9 mt 56.69 61.63 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.299 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.553 ' C ' ' O ' ' A' ' 18' ' ' LEU . 3.5 t 23.76 92.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.562 ' O ' ' C ' ' A' ' 21' ' ' ARG . 3.1 m -121.5 -3.55 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.609 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 17.0 ptp180 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.542 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.675 ' CD1' ' SD ' ' A' ' 9' ' ' MET . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.715 0.293 . . . . 0.0 110.621 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 24.6 Cg_exo . . . . . 0 C--N 1.305 -1.734 0 C-N-CA 122.8 2.333 . . . . 0.0 111.947 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.567 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 4.7 mt . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.675 ' SD ' ' CD1' ' A' ' 5' ' ' ILE . 53.1 mtp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.056 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.575 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 N--CA 1.443 -0.885 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.642 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.4 m -159.12 -152.17 0.31 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.7 0.762 . . . . 0.0 111.196 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.568 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -126.07 5.08 7.84 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.559 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.645 ' HB3' ' O ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -46.13 -175.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.749 0.309 . . . . 0.0 110.476 -179.639 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.639 HD22 ' CD2' ' A' ' 14' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.65 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.514 ' HA2' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.9 mt -95.58 -5.28 42.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 110.721 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 t 69.94 91.44 0.09 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 m -112.41 -1.95 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.49 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.567 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 61.5 ttp180 . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.627 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.66 -36.91 93.96 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.542 ' O ' ' CD2' ' A' ' 8' ' ' LEU . . . 88.57 2.21 79.59 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.637 ' O ' ' CG1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.637 ' CG1' ' O ' ' A' ' 4' ' ' DBU . 0.6 OUTLIER 147.77 -42.85 0.0 OUTLIER Pre-proline 0 N--CA 1.462 0.134 0 O-C-N 123.79 0.681 . . . . 0.0 110.834 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.643 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 24.5 Cg_exo -62.03 1.75 0.79 Allowed 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.732 2.288 . . . . 0.0 111.534 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.703 ' O ' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.582 HD23 ' CZ3' ' A' ' 14' ' ' TRP . 1.9 mm? -64.9 -38.56 91.38 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.533 ' HG3' ' HA ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -63.7 -42.38 97.98 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.9 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.703 ' HG2' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.627 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . -159.98 76.55 0.19 Allowed Glycine 0 CA--C 1.528 0.888 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.643 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -163.12 -155.41 0.33 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.606 0.717 . . . . 0.0 111.448 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.591 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -132.82 17.69 4.62 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.406 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.624 ' N ' ' CD1' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -39.76 -109.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.608 -0.296 . . . . 0.0 111.214 -179.509 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.59 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -103.11 -28.1 12.16 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.885 0.374 . . . . 0.0 110.336 -179.383 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.561 ' HB ' HG22 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.51 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 117.59 -61.99 0.42 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.9 mt -111.26 34.47 4.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.793 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.547 ' HA ' ' HG1' ' A' ' 10' ' ' DBB . 12.9 t 42.13 86.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.561 HG22 ' HB ' ' A' ' 16' ' ' DBU . 16.7 m -109.78 -2.59 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.27 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 61.8 ttp180 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.441 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.74 -37.79 95.22 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.525 ' O ' ' CG ' ' A' ' 4' ' ' DBU . . . 92.81 -1.34 71.12 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.646 ' O ' ' CG1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.67 ' CD1' ' SD ' ' A' ' 9' ' ' MET . 0.6 OUTLIER 145.73 -41.36 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.378 0 O-C-N 123.829 0.706 . . . . 0.0 110.71 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 25.4 Cg_exo -61.13 11.58 0.06 OUTLIER 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.869 2.379 . . . . 0.0 112.035 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.63 ' O ' ' CG ' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.652 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 2.2 mm? -72.41 -38.62 68.35 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.67 ' SD ' ' CD1' ' A' ' 5' ' ' ILE . 2.8 mtm -63.69 -43.06 97.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.417 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.63 ' CG ' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.718 ' N ' ' SG ' ' A' ' 19' ' ' CYS . . . -170.6 52.8 0.19 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.577 ' N ' ' HB2' ' A' ' 7' ' ' DAL . 0.4 OUTLIER -159.18 -156.37 0.52 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.775 0.798 . . . . 0.0 111.178 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 14' ' ' TRP . . . -124.01 10.85 8.3 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.65 ' N ' ' CD1' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -16.51 -104.59 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 114.944 -0.628 . . . . 0.0 111.045 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.604 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -106.32 -27.02 11.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.015 0.436 . . . . 0.0 109.97 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.533 ' HB ' HG23 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.553 ' O ' ' HA2' ' A' ' 13' ' ' GLY . . . 110.03 -56.0 0.48 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 92.0 mt -106.54 4.2 27.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.97 0.414 . . . . 0.0 110.066 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.718 ' SG ' ' N ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER 74.86 60.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.151 -179.537 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.533 HG23 ' HB ' ' A' ' 16' ' ' DBU . 58.1 t -62.47 -45.68 98.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.6 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.541 ' OXT' ' CG ' ' A' ' 10' ' ' DBB . 53.6 ttp180 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.677 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.32 15.44 78.43 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.657 ' O ' ' C ' ' A' ' 4' ' ' DBU . . . -83.64 -7.87 85.45 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.657 ' C ' ' O ' ' A' ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.653 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.7 OUTLIER 148.24 -40.83 0.0 OUTLIER Pre-proline 0 N--CA 1.464 0.225 0 O-C-N 123.704 0.627 . . . . 0.0 110.798 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 36.0 Cg_exo -57.73 -7.49 3.32 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.891 2.394 . . . . 0.0 111.531 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.662 ' C ' ' CE3' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.598 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 26.2 mt -81.99 -6.0 58.78 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.599 ' SD ' HD12 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -96.66 -41.89 8.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.638 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.581 ' HG3' ' N ' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.581 ' N ' ' HG3' ' A' ' 10' ' ' DBB . . . -179.13 60.1 0.08 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.596 ' CB ' ' O ' ' A' ' 6' ' ' PRO . 1.6 m -160.06 -150.91 0.23 Allowed 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.756 0.789 . . . . 0.0 111.108 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.621 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -134.42 1.06 3.99 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 109.211 -1.556 . . . . 0.0 109.211 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.662 ' CE3' ' C ' ' A' ' 7' ' ' DAL . 0.2 OUTLIER -14.59 -113.29 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 114.867 -0.666 . . . . 0.0 111.925 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.586 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -103.17 -29.13 11.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.042 0.448 . . . . 0.0 110.007 -179.042 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.532 ' CG ' ' CG2' ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.493 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 109.48 -57.42 0.43 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.529 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 10.5 mp -96.39 3.17 53.06 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.149 -0.22 . . . . 0.0 111.069 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.612 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 7.8 t 67.82 65.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 110.423 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.532 ' CG2' ' CG ' ' A' ' 16' ' ' DBU . 1.4 m -64.08 -42.04 94.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.763 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' HD2' ' HH2' ' A' ' 14' ' ' TRP . 84.3 mtt85 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.485 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.448 ' HA2' HD11 ' A' ' 8' ' ' LEU . . . 94.68 -3.34 68.0 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.01 -38.32 95.87 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.625 ' O ' ' CG1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.67 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER 148.45 -39.15 0.0 OUTLIER Pre-proline 0 N--CA 1.463 0.198 0 O-C-N 123.797 0.686 . . . . 0.0 111.044 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.1 Cg_exo -57.43 -4.51 1.22 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.755 2.303 . . . . 0.0 111.514 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.691 ' C ' ' CE3' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.585 ' HA ' ' CZ3' ' A' ' 14' ' ' TRP . 23.9 mt -80.38 -6.17 57.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.623 ' SD ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -95.35 -41.17 9.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.161 179.584 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.608 ' HG1' ' N ' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.612 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . -173.07 63.72 0.13 Allowed Glycine 0 CA--C 1.524 0.616 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.623 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.612 ' SG ' ' C ' ' A' ' 11' ' ' GLY . 1.6 m -161.01 -152.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.503 0.668 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.611 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -130.48 1.55 5.66 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 178.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.691 ' CE3' ' C ' ' A' ' 7' ' ' DAL . 0.2 OUTLIER -17.23 -108.67 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.072 -0.564 . . . . 0.0 111.488 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.593 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -107.28 -29.07 9.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.367 . . . . 0.0 110.262 -179.245 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.411 ' HB ' HG22 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.51 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 116.95 -63.75 0.37 Allowed Glycine 0 CA--C 1.524 0.651 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.298 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.524 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 10.8 mp -103.28 7.17 38.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.478 0.18 . . . . 0.0 111.139 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 50.4 t 72.83 54.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.941 0.401 . . . . 0.0 110.298 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.411 HG22 ' HB ' ' A' ' 16' ' ' DBU . 10.2 t -63.84 -44.18 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.283 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.622 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.54 130.59 7.54 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.06 -7.72 69.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.62 ' O ' ' CG1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.62 ' CG1' ' O ' ' A' ' 4' ' ' DBU . 0.6 OUTLIER 150.9 -44.25 0.0 OUTLIER Pre-proline 0 N--CA 1.463 0.19 0 O-C-N 123.786 0.679 . . . . 0.0 110.964 179.307 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.624 ' O ' ' HB3' ' A' ' 14' ' ' TRP . 16.9 Cg_exo -64.75 1.77 1.63 Allowed 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 122.829 2.353 . . . . 0.0 111.216 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.623 ' HA ' ' CG ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.589 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 1.1 mm? -64.08 -37.69 88.36 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.591 ' HG3' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -62.83 -41.6 99.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.382 -179.697 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.62 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.569 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . -164.58 77.57 0.14 Allowed Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.261 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.613 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.4 m -158.81 -150.27 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.395 0.617 . . . . 0.0 111.196 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -134.97 17.83 4.08 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.624 ' HB3' ' O ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -46.69 -114.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.366 -0.417 . . . . 0.0 111.572 -178.815 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.585 HD22 ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -97.0 -26.48 15.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.565 -178.772 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 120.06 -62.58 0.48 Allowed Glycine 0 CA--C 1.526 0.728 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.03 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 96.6 mt -101.54 -0.91 34.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.748 0.308 . . . . 0.0 110.929 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.529 ' HA ' ' HG2' ' A' ' 10' ' ' DBB . 9.4 t 77.7 89.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.779 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 t -105.16 -14.95 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.368 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.589 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 60.0 ttp180 . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.577 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.533 ' HA3' ' CG ' ' A' ' 6' ' ' PRO . . . -63.85 -33.23 86.69 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 4' ' ' DBU . . . 90.67 8.26 65.77 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.622 ' O ' ' CG1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.622 ' CG1' ' O ' ' A' ' 4' ' ' DBU . 0.7 OUTLIER 149.1 -44.96 0.0 OUTLIER Pre-proline 0 N--CA 1.464 0.266 0 O-C-N 123.59 0.556 . . . . 0.0 110.716 179.246 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.676 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 31.5 Cg_exo -57.08 -35.32 98.88 Favored 'Trans proline' 0 C--N 1.303 -1.84 0 C-N-CA 122.452 2.102 . . . . 0.0 111.407 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.705 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.579 ' CD1' ' CG ' ' A' ' 4' ' ' DBU . 5.9 mt -77.25 -16.41 59.03 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.598 ' SD ' HD13 ' A' ' 5' ' ' ILE . 72.4 mtp -65.31 -39.48 92.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.74 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.56 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.554 ' N ' ' HB2' ' A' ' 19' ' ' CYS . . . 161.1 55.39 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 C-N-CA 119.893 -1.146 . . . . 0.0 112.49 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.676 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 22.7 p -142.31 -152.89 0.43 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.298 0.571 . . . . 0.0 110.589 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.592 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -126.66 -1.26 7.08 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 178.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.705 ' CD2' ' HA ' ' A' ' 7' ' ' DAL . 0.2 OUTLIER -14.41 -108.76 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.079 -0.56 . . . . 0.0 111.333 -179.615 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.602 HD22 ' CE3' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -103.13 -26.77 12.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.016 0.436 . . . . 0.0 110.003 -179.737 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.415 ' HB ' HG21 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.52 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 119.71 -30.27 5.78 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.599 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -163.45 82.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.599 ' C ' ' O ' ' A' ' 18' ' ' LEU . 14.9 t 14.92 66.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.204 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.415 HG21 ' HB ' ' A' ' 16' ' ' DBU . 73.8 t -64.31 -44.48 97.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.318 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.512 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 59.3 ttm-85 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.17 154.58 26.53 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.19 -3.67 88.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.61 ' O ' ' CG1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.61 ' CG1' ' O ' ' A' ' 4' ' ' DBU . 0.6 OUTLIER 150.33 -44.82 0.0 OUTLIER Pre-proline 0 N--CA 1.462 0.167 0 O-C-N 123.567 0.542 . . . . 0.0 110.783 179.57 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.693 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 32.4 Cg_exo -57.21 -33.86 96.74 Favored 'Trans proline' 0 C--N 1.3 -1.985 0 C-N-CA 122.548 2.165 . . . . 0.0 111.06 -178.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.707 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.554 ' CD1' ' CG ' ' A' ' 4' ' ' DBU . 5.5 mt -67.93 -22.5 65.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.423 0.63 . . . . 0.0 109.307 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.578 ' SD ' HD13 ' A' ' 5' ' ' ILE . 70.7 mtp -61.54 -40.68 95.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.216 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.612 ' C ' ' HB2' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.545 ' N ' ' CG ' ' A' ' 10' ' ' DBB . . . 165.23 57.7 0.02 OUTLIER Glycine 0 CA--C 1.528 0.864 0 C-N-CA 119.982 -1.104 . . . . 0.0 112.449 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.693 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 27.3 p -144.58 -150.69 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.264 0.555 . . . . 0.0 110.816 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.596 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -128.17 -2.31 6.04 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.707 ' CD2' ' HA ' ' A' ' 7' ' ' DAL . 0.2 OUTLIER -16.26 -107.56 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.439 -0.38 . . . . 0.0 111.304 -179.685 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.599 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -114.22 -23.53 9.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.958 0.408 . . . . 0.0 110.029 -179.537 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.546 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . 94.61 90.89 1.68 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.584 ' O ' ' C ' ' A' ' 19' ' ' CYS . 75.5 mt 76.21 61.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.666 0.27 . . . . 0.0 110.502 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.612 ' HB2' ' C ' ' A' ' 10' ' ' DBB . 5.6 t 19.87 88.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.069 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.7 t -103.26 -15.88 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.506 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.562 -179.913 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.16 8.22 84.06 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.5 ' O ' ' CG ' ' A' ' 4' ' ' DBU . . . -64.74 -37.52 94.45 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.682 ' C ' ' CD ' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.688 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 18.0 mm 109.51 -32.84 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.413 0 O-C-N 124.141 0.9 . . . . 0.0 112.281 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.688 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 19.4 Cg_endo -74.07 58.31 4.18 Favored 'Trans proline' 0 C--N 1.303 -1.86 0 C-N-CA 122.134 1.889 . . . . 0.0 111.639 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.623 ' O ' ' HG1' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.622 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 10.3 mt -62.82 -31.04 71.96 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.509 ' SD ' HD12 ' A' ' 5' ' ' ILE . 49.8 mtm -67.5 -39.62 85.17 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.551 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.623 ' HG1' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.61 ' N ' ' HG2' ' A' ' 10' ' ' DBB . . . -161.25 74.59 0.19 Allowed Glycine 0 N--CA 1.442 -0.964 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.526 ' SG ' ' C ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -153.02 -157.5 0.8 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.268 0.556 . . . . 0.0 111.31 -179.272 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.549 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -121.39 4.78 11.05 Favored Glycine 0 N--CA 1.46 0.239 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.641 ' CE3' ' O ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -45.78 -179.21 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.078 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.634 HD21 ' CG ' ' A' ' 14' ' ' TRP . 0.7 OUTLIER -29.08 -34.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.07 -179.716 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.607 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 12' ' ' CYS . . . 127.92 -47.13 1.04 Allowed Glycine 0 CA--C 1.525 0.692 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.269 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.7 mt -101.59 0.34 36.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 110.541 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.524 ' CA ' ' HG3' ' A' ' 10' ' ' DBB . 7.0 t 62.44 94.14 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.601 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.576 ' O ' ' C ' ' A' ' 21' ' ' ARG . 2.8 m -112.47 -0.52 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.727 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.622 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 17.2 ptp180 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.47 143.58 14.69 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -91.04 104.55 3.18 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.71 ' C ' ' CD ' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.708 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 21.7 mm 106.19 -27.45 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.356 0 O-C-N 123.94 0.775 . . . . 0.0 112.481 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.71 ' CD ' ' C ' ' A' ' 4' ' ' DBU . 9.8 Cg_endo -70.71 -4.23 14.25 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 121.596 1.531 . . . . 0.0 110.949 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.662 ' O ' ' CE3' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.542 HD11 ' N ' ' A' ' 4' ' ' DBU . 21.2 mt -75.53 -24.97 56.84 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 177.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.9 mmm -71.43 -49.14 44.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.825 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.66 ' CG ' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.714 ' N ' ' SG ' ' A' ' 19' ' ' CYS . . . -176.19 61.19 0.1 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.638 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 2.3 m -153.14 -147.47 0.22 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.637 0.732 . . . . 0.0 111.184 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.602 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -134.9 20.98 3.77 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 108.779 -1.728 . . . . 0.0 108.779 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.662 ' CE3' ' O ' ' A' ' 7' ' ' DAL . 0.4 OUTLIER -42.01 178.99 0.0 OUTLIER 'General case' 0 N--CA 1.46 0.065 0 CA-C-N 115.2 -0.5 . . . . 0.0 109.946 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.642 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 1.2 pt? -28.38 -36.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.613 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.625 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.453 ' O ' ' HA2' ' A' ' 13' ' ' GLY . . . 130.82 -56.46 0.74 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 87.1 mt -101.26 -0.03 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.463 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.714 ' SG ' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 76.13 83.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.413 -179.724 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.461 ' N ' ' HZ2' ' A' ' 14' ' ' TRP . 96.8 t -61.97 -45.42 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.468 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.61 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.479 ' HA2' HD23 ' A' ' 8' ' ' LEU . . . 82.02 13.83 78.46 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.85 -1.95 49.19 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.677 ' C ' ' CD ' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.698 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 20.0 mm 111.31 -33.76 0.0 OUTLIER Pre-proline 0 N--CA 1.47 0.532 0 O-C-N 124.291 0.994 . . . . 0.0 112.043 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.698 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 30.8 Cg_endo -79.4 -6.37 14.62 Favored 'Trans proline' 0 C--N 1.302 -1.897 0 C-N-CA 122.364 2.043 . . . . 0.0 111.75 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.641 ' HA ' ' CG ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.558 HD13 ' N ' ' A' ' 4' ' ' DBU . 2.4 mt -65.1 -33.09 75.19 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.609 ' SD ' HD12 ' A' ' 5' ' ' ILE . 52.0 mtp -64.53 -40.41 95.57 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.188 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.611 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.615 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . -163.84 78.3 0.15 Allowed Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -160.37 -153.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.535 0.683 . . . . 0.0 111.823 -179.515 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.569 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -132.2 16.44 4.93 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.646 ' HB3' ' O ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -45.73 -114.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.018 0.437 . . . . 0.0 111.429 -179.243 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.598 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -93.72 -33.94 13.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 -179.024 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.516 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 122.47 -57.13 0.63 Allowed Glycine 0 CA--C 1.525 0.678 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.286 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.2 mt -103.6 9.36 37.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 110.704 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' HA ' ' HG2' ' A' ' 10' ' ' DBB . 8.0 t 62.12 84.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.496 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 m -111.18 -4.53 11.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.464 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.475 ' HG2' ' OXT' ' A' ' 21' ' ' ARG . 69.4 ttt180 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.502 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.78 177.0 51.53 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 4' ' ' DBU . . . 94.49 -7.52 71.57 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.628 ' O ' ' CG1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.628 ' CG1' ' O ' ' A' ' 4' ' ' DBU . 0.2 OUTLIER -175.83 -42.39 0.0 OUTLIER Pre-proline 0 C--N 1.332 -0.158 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.175 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.57 ' C ' ' HB3' ' A' ' 14' ' ' TRP . 13.3 Cg_exo -65.56 84.82 0.22 Allowed 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.031 1.82 . . . . 0.0 111.234 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.634 ' C ' ' CE3' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.606 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 29.5 mt -87.55 -27.34 22.64 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.511 ' HG3' ' HA ' ' A' ' 5' ' ' ILE . 43.0 mtm -72.17 -39.71 68.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.728 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.625 ' CG ' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.632 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . 163.81 63.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.091 0 C-N-CA 120.631 -0.795 . . . . 0.0 111.758 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.632 ' SG ' ' C ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -159.91 -159.22 0.7 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.419 0.628 . . . . 0.0 111.289 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.58 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -126.55 5.26 7.59 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.634 ' CE3' ' C ' ' A' ' 7' ' ' DAL . 0.2 OUTLIER -16.37 -107.42 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.959 -0.62 . . . . 0.0 111.473 179.774 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.581 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -102.28 -29.57 11.6 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.867 0.365 . . . . 0.0 110.11 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 130.92 -50.81 0.88 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.586 ' O ' ' CB ' ' A' ' 19' ' ' CYS . 81.1 mt -96.57 -57.26 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.586 ' CB ' ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER 154.62 122.9 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.259 -179.584 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.578 ' HB ' ' CZ2' ' A' ' 14' ' ' TRP . 34.6 t -131.62 70.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.175 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.565 ' OXT' ' O ' ' A' ' 8' ' ' LEU . 4.6 tpt180 . . . . . 0 C--O 1.222 -0.38 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.709 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.26 14.85 79.74 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.03 -36.29 93.08 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.671 ' O ' ' CG1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.68 ' CD1' ' SD ' ' A' ' 9' ' ' MET . 0.5 OUTLIER 153.55 -40.33 0.0 OUTLIER Pre-proline 0 N--CA 1.462 0.155 0 O-C-N 123.493 0.496 . . . . 0.0 110.969 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 10.6 Cg_exo -65.26 -1.79 5.01 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.54 2.16 . . . . 0.0 112.43 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.639 ' O ' ' CE3' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.56 ' CD1' ' CG ' ' A' ' 4' ' ' DBU . 3.2 mt -93.51 -26.21 17.26 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.68 ' SD ' ' CD1' ' A' ' 5' ' ' ILE . 65.9 mtp -69.0 -39.09 79.53 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.294 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.612 ' HG2' ' N ' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.612 ' N ' ' HG2' ' A' ' 10' ' ' DBB . . . 176.8 67.59 0.06 OUTLIER Glycine 0 CA--C 1.526 0.775 0 C-N-CA 120.472 -0.871 . . . . 0.0 111.533 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.3 m -157.37 -151.73 0.32 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.658 0.742 . . . . 0.0 111.206 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -136.07 16.3 3.94 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 178.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.639 ' CE3' ' O ' ' A' ' 7' ' ' DAL . 0.2 OUTLIER -31.65 -104.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.128 -0.536 . . . . 0.0 111.543 -179.203 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.635 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -118.0 13.3 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.672 0.273 . . . . 0.0 110.643 -178.818 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.626 ' HB ' ' CG2' ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.52 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 98.56 113.15 3.28 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.571 ' O ' ' C ' ' A' ' 19' ' ' CYS . 86.3 mt 59.73 59.2 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.718 0.295 . . . . 0.0 110.422 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.608 ' HB2' ' C ' ' A' ' 10' ' ' DBB . 49.1 t 19.56 92.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.401 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.626 ' CG2' ' HB ' ' A' ' 16' ' ' DBU . 35.6 m -111.11 -5.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.594 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.627 -179.859 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.534 ' O ' HD11 ' A' ' 8' ' ' LEU . . . 77.94 18.84 76.28 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.44 -35.2 91.66 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.674 ' C ' ' CD ' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.635 ' CB ' ' O ' ' A' ' 4' ' ' DBU . 12.4 mm 109.84 -40.31 0.0 OUTLIER Pre-proline 0 N--CA 1.47 0.547 0 O-C-N 124.277 0.986 . . . . 0.0 112.118 179.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.679 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 31.7 Cg_exo -55.21 -44.66 47.04 Favored 'Trans proline' 0 C--N 1.298 -2.079 0 C-N-CA 121.509 1.472 . . . . 0.0 110.449 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.64 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.596 ' CD1' ' CG ' ' A' ' 4' ' ' DBU . 7.2 mt -65.22 -29.67 70.49 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.269 0.557 . . . . 0.0 109.521 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.599 ' SD ' HD11 ' A' ' 5' ' ' ILE . 64.1 mtp -61.19 -40.45 93.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.855 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.602 ' HG1' ' N ' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.602 ' N ' ' HG1' ' A' ' 10' ' ' DBB . . . -174.39 57.99 0.13 Allowed Glycine 0 CA--C 1.524 0.603 0 C-N-CA 120.106 -1.045 . . . . 0.0 111.721 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 29.5 p -143.82 -158.95 0.93 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.511 0.672 . . . . 0.0 111.029 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.575 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -124.38 14.02 7.81 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 177.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.64 ' CD2' ' HA ' ' A' ' 7' ' ' DAL . 0.1 OUTLIER -41.89 176.03 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 114.735 -0.732 . . . . 0.0 110.178 -179.761 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.635 HD22 ' CG ' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -28.97 -34.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.622 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 129.73 -55.03 0.77 Allowed Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' A' ' 20' ' ' VAL . 87.5 mt -129.44 105.19 7.93 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.552 ' C ' ' O ' ' A' ' 18' ' ' LEU . 4.6 t -28.92 91.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.045 0.45 . . . . 0.0 110.392 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.595 ' N ' ' O ' ' A' ' 18' ' ' LEU . 2.9 m -107.68 -2.91 10.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.377 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.519 179.759 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.553 ' O ' ' CD1' ' A' ' 8' ' ' LEU . . . -87.01 175.64 46.75 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.67 -97.98 0.38 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.622 ' O ' ' CG1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.622 ' CG1' ' O ' ' A' ' 4' ' ' DBU . 0.7 OUTLIER 149.98 -43.07 0.0 OUTLIER Pre-proline 0 N--CA 1.462 0.158 0 O-C-N 123.582 0.551 . . . . 0.0 110.937 179.562 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.681 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 34.0 Cg_exo -57.13 -33.36 95.69 Favored 'Trans proline' 0 C--N 1.302 -1.907 0 C-N-CA 122.183 1.922 . . . . 0.0 110.563 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.666 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.573 ' CD1' ' CG ' ' A' ' 4' ' ' DBU . 5.3 mt -64.06 -24.31 67.66 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.602 ' SD ' ' HA ' ' A' ' 5' ' ' ILE . 70.2 mtp -63.71 -39.67 94.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.481 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.6 ' HG2' ' N ' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.6 ' N ' ' HG2' ' A' ' 10' ' ' DBB . . . -166.99 54.6 0.24 Allowed Glycine 0 CA--C 1.526 0.752 0 C-N-CA 120.189 -1.005 . . . . 0.0 111.862 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.707 ' SG ' ' CD1' ' A' ' 14' ' ' TRP . 26.1 p -146.25 -154.79 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.241 0.543 . . . . 0.0 110.766 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -125.92 -5.21 6.4 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.707 ' CD1' ' SG ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -13.95 -110.79 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.192 -0.504 . . . . 0.0 111.577 -179.537 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.605 ' N ' ' CG ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -103.64 -29.96 10.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.803 0.335 . . . . 0.0 110.181 -179.053 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.568 ' HB ' HG22 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 128.52 -59.63 0.68 Allowed Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.285 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.514 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 97.8 mt -113.1 -0.1 14.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.754 0.311 . . . . 0.0 111.05 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 19.1 t 81.73 77.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.192 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.579 ' O ' ' C ' ' A' ' 21' ' ' ARG . 13.8 m -109.06 -12.53 10.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.694 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 20' ' ' VAL . 9.0 ptm180 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.09 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.79 8.87 85.33 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.19 102.27 0.2 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.587 ' O ' ' CB ' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.603 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 0.5 OUTLIER 154.45 -46.37 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.424 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 26.5 Cg_exo -61.44 -26.54 81.3 Favored 'Trans proline' 0 C--N 1.303 -1.842 0 C-N-CA 122.772 2.315 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.688 ' O ' ' CZ3' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.551 HD11 ' N ' ' A' ' 4' ' ' DBU . 3.6 mt -90.9 -4.27 56.67 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.234 -0.986 . . . . 0.0 109.179 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.603 ' SD ' ' HA ' ' A' ' 5' ' ' ILE . 2.7 ptm -103.36 -36.92 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.901 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.629 ' CG ' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.667 ' N ' ' SG ' ' A' ' 19' ' ' CYS . . . 68.36 38.43 87.16 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.409 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.732 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 21.7 p -137.46 -168.56 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.192 0.52 . . . . 0.0 110.612 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -123.48 3.83 9.46 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 109.097 -1.601 . . . . 0.0 109.097 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.688 ' CZ3' ' O ' ' A' ' 7' ' ' DAL . 0.2 OUTLIER -16.41 -109.98 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 114.849 -0.675 . . . . 0.0 111.577 -179.528 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.574 HD21 ' CE3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -101.36 -27.03 13.39 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.507 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.568 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 123.48 -62.69 0.56 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 46.2 tp -94.47 -3.27 50.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.089 0.471 . . . . 0.0 109.952 179.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.732 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 73.37 68.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.331 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 t -63.48 -44.21 98.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.479 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' A' ' 10' ' ' DBB . 41.3 ttm180 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.554 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.15 -36.86 94.01 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.98 84.06 1.24 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.714 ' C ' ' CG ' ' A' ' 9' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.655 HG12 ' C ' ' A' ' 4' ' ' DBU . 25.0 mm -161.97 -46.17 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.414 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.675 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 9.9 Cg_exo -69.27 -14.95 38.53 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.625 2.216 . . . . 0.0 112.003 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.668 ' O ' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.599 HD21 ' CE3' ' A' ' 14' ' ' TRP . 4.4 mt -64.06 -32.1 73.53 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.714 ' CG ' ' C ' ' A' ' 4' ' ' DBU . 32.3 mtm -64.12 -41.86 97.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.358 178.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.668 ' HG2' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.606 ' N ' ' HG3' ' A' ' 10' ' ' DBB . . . -163.28 77.31 0.16 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.675 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -161.83 -154.74 0.35 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.542 0.687 . . . . 0.0 111.48 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.558 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -132.36 20.25 4.46 Favored Glycine 0 CA--C 1.523 0.556 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.415 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.634 ' HB3' ' O ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -45.72 -112.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.734 0.302 . . . . 0.0 111.175 -179.636 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.604 HD22 ' CE3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -98.99 -26.96 14.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.817 0.341 . . . . 0.0 110.327 -179.265 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.523 ' HB ' HG21 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.498 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 104.14 -22.08 35.89 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.185 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.528 ' O ' ' O ' ' A' ' 19' ' ' CYS . 4.4 mp -149.04 36.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.517 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.552 ' HA ' ' HG1' ' A' ' 10' ' ' DBB . 5.9 t 33.27 97.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.089 0.471 . . . . 0.0 110.814 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.523 HG21 ' HB ' ' A' ' 16' ' ' DBU . 0.8 OUTLIER -110.21 -12.97 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.396 179.79 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.501 ' OXT' ' O ' ' A' ' 20' ' ' VAL . 9.7 ptm180 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.458 ' HA3' HD12 ' A' ' 8' ' ' LEU . . . -84.53 -173.67 49.95 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.36 -42.12 99.72 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.613 ' O ' ' CD1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.613 ' CD1' ' O ' ' A' ' 4' ' ' DBU . 1.1 mp -152.69 -46.71 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.783 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.715 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 42.6 Cg_exo -54.41 -35.36 84.47 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 121.804 1.669 . . . . 0.0 110.836 -178.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.647 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.537 HD11 ' N ' ' A' ' 4' ' ' DBU . 3.5 mt -63.25 -26.17 68.66 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.599 ' CG ' ' HA ' ' A' ' 5' ' ' ILE . 44.1 mtm -62.44 -39.57 93.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.46 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.61 ' HG3' ' N ' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.61 ' N ' ' HG3' ' A' ' 10' ' ' DBB . . . -174.07 67.34 0.11 Allowed Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.724 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.715 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 28.3 p -151.39 -158.84 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.447 0.641 . . . . 0.0 111.281 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.571 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -119.02 7.59 12.84 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.671 ' CE3' ' CD2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -44.07 179.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.314 -0.443 . . . . 0.0 109.97 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.671 ' CD2' ' CE3' ' A' ' 14' ' ' TRP . 0.4 OUTLIER -27.83 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.022 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.628 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.477 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 129.47 -43.17 1.33 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.545 ' O ' ' C ' ' A' ' 19' ' ' CYS . 95.7 mt -108.47 31.34 5.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.917 0.389 . . . . 0.0 110.452 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.545 ' C ' ' O ' ' A' ' 18' ' ' LEU . 5.9 t 27.15 81.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.42 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ARG . 10.5 m -97.46 -5.89 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.533 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' VAL . 12.1 ptt180 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.506 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.85 -38.91 97.32 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.528 ' O ' ' HG ' ' A' ' 8' ' ' LEU . . . 78.86 18.22 75.58 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.614 ' O ' ' CG1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.614 ' CG1' ' O ' ' A' ' 4' ' ' DBU . 0.6 OUTLIER 149.21 -45.4 0.0 OUTLIER Pre-proline 0 N--CA 1.463 0.194 0 O-C-N 123.89 0.744 . . . . 0.0 110.544 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.69 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 31.2 Cg_exo -58.65 -20.84 52.51 Favored 'Trans proline' 0 C--N 1.301 -1.969 0 C-N-CA 122.91 2.406 . . . . 0.0 111.816 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.732 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.578 ' CB ' ' CB ' ' A' ' 4' ' ' DBU . 0.7 OUTLIER -53.88 -29.26 40.89 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.217 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.524 ' CG ' ' HA ' ' A' ' 5' ' ' ILE . 1.5 mmt -62.1 -40.28 95.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.898 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.667 ' HG1' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.645 ' N ' ' HG2' ' A' ' 10' ' ' DBB . . . -167.79 73.12 0.15 Allowed Glycine 0 CA--C 1.531 1.039 0 C-N-CA 120.581 -0.819 . . . . 0.0 111.514 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.709 ' SG ' ' CD1' ' A' ' 14' ' ' TRP . 21.7 p -162.5 -163.77 0.94 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.379 0.609 . . . . 0.0 111.502 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.583 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -122.63 21.15 7.65 Favored Glycine 0 CA--C 1.522 0.516 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.524 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.732 ' CD2' ' HA ' ' A' ' 7' ' ' DAL . 0.2 OUTLIER -47.02 -114.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.921 0.391 . . . . 0.0 110.751 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.606 ' N ' ' CG ' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -91.53 -40.02 11.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.486 -179.557 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.513 ' HB ' HG21 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.556 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 123.57 -58.88 0.62 Allowed Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 95.9 mt -100.46 4.4 43.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.717 0.294 . . . . 0.0 110.607 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.567 ' HA ' ' HG3' ' A' ' 10' ' ' DBB . 29.8 t 70.77 80.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.502 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.513 HG21 ' HB ' ' A' ' 16' ' ' DBU . 74.9 t -64.76 -44.43 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.828 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.17 14.43 81.76 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.83 -37.18 94.29 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.619 ' HB ' HD21 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER 154.36 -44.42 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.533 0 CA-C-N 114.097 -1.41 . . . . 0.0 110.135 -179.722 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.657 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 46.7 Cg_exo -55.21 -50.0 14.5 Favored 'Trans proline' 0 C--N 1.3 -1.994 0 C-N-CA 122.037 1.825 . . . . 0.0 111.838 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.754 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.619 HD21 ' HB ' ' A' ' 4' ' ' DBU . 3.1 mm? -63.04 -38.28 90.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.684 0.754 . . . . 0.0 110.013 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.6 ' HG3' ' O ' ' A' ' 5' ' ' ILE . 20.1 mmt -52.23 -43.27 64.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.339 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.669 ' C ' ' HB2' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.616 ' N ' ' CG ' ' A' ' 10' ' ' DBB . . . 170.98 64.45 0.04 OUTLIER Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.137 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.657 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 1.5 p -160.53 173.83 14.96 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.545 ' HA2' ' HA2' ' A' ' 17' ' ' GLY . . . -98.53 40.12 2.56 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 110.041 -1.223 . . . . 0.0 110.041 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.754 ' CD2' ' HA ' ' A' ' 7' ' ' DAL . 0.2 OUTLIER -62.36 -115.44 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.724 0.297 . . . . 0.0 111.021 -179.165 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.609 HD22 ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -100.53 0.49 39.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 -178.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.678 ' HB ' ' CG2' ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.545 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 106.48 112.85 3.73 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.553 ' O ' ' C ' ' A' ' 19' ' ' CYS . 91.9 mt 56.69 61.63 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.299 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.669 ' HB2' ' C ' ' A' ' 10' ' ' DBB . 3.5 t 23.76 92.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.678 ' CG2' ' HB ' ' A' ' 16' ' ' DBU . 3.1 m -121.5 -3.55 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.609 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 17.0 ptp180 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.542 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.448 ' HA ' ' HG3' ' A' ' 6' ' ' PRO . . . . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.69 -3.18 77.97 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 108.24 85.94 1.77 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' DBU . . . . . 0.641 ' O ' ' CG1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.675 ' CD1' ' SD ' ' A' ' 9' ' ' MET . 0.5 OUTLIER 150.33 -42.07 0.0 OUTLIER Pre-proline 0 C--O 1.233 0.207 0 O-C-N 123.577 0.548 . . . . 0.0 110.621 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 24.6 Cg_exo -62.1 -8.93 13.16 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.8 2.333 . . . . 0.0 111.947 -178.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.614 ' O ' ' HG1' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.579 HD12 ' N ' ' A' ' 4' ' ' DBU . 4.7 mt -61.46 -31.74 71.7 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.675 ' SD ' ' CD1' ' A' ' 5' ' ' ILE . 53.1 mtp -66.89 -40.04 87.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.056 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.614 ' HG1' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.575 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . -165.14 81.02 0.11 Allowed Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.382 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.642 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.4 m -159.12 -152.17 0.31 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.7 0.762 . . . . 0.0 111.196 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.568 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -126.07 5.08 7.84 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.559 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.645 ' HB3' ' O ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -46.13 -175.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.749 0.309 . . . . 0.0 110.476 -179.639 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.639 HD22 ' CD2' ' A' ' 14' ' ' TRP . 0.4 OUTLIER -28.3 -37.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.65 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' DBU . . . . . 0.608 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.514 ' HA2' ' O ' ' A' ' 12' ' ' CYS . . . 131.37 -48.6 0.96 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.9 mt -95.58 -5.28 42.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 110.721 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.564 ' HA ' ' HG3' ' A' ' 10' ' ' DBB . 8.6 t 69.94 91.44 0.09 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.482 ' CG2' ' HG3' ' A' ' 16' ' ' DBU . 6.5 m -112.41 -1.95 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.49 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.567 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 61.5 ttp180 . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.627 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.864 0.364 . . . . 0.0 110.834 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.685 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 24.5 Cg_exo . . . . . 0 C--N 1.304 -1.781 0 C-N-CA 122.732 2.288 . . . . 0.0 111.534 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.7 HD13 HH12 ' A' ' 21' ' ' ARG . 1.9 mm? . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.583 ' HG3' ' HA ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.211 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.627 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.528 0.888 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.685 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -163.12 -155.41 0.33 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.606 0.717 . . . . 0.0 111.448 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.591 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -132.82 17.69 4.62 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.406 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.883 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -39.76 -109.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.608 -0.296 . . . . 0.0 111.214 -179.509 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.452 0 CA-C-O 120.885 0.374 . . . . 0.0 110.336 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.525 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.9 mt -111.26 34.47 4.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.793 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.9 t 42.13 86.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.7 m -109.78 -2.59 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.27 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.7 HH12 HD13 ' A' ' 8' ' ' LEU . 61.8 ttp180 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.441 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.931 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.378 0 CA-C-O 120.657 0.265 . . . . 0.0 110.71 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 25.4 Cg_exo . . . . . 0 N--CA 1.497 1.697 0 C-N-CA 122.869 2.379 . . . . 0.0 112.035 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.76 ' N ' HD22 ' A' ' 8' ' ' LEU . 2.2 mm? . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.931 ' SD ' HD13 ' A' ' 5' ' ' ILE . 2.8 mtm . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.417 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 1.176 ' N ' ' HG ' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.528 0.869 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.565 ' SG ' ' C ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -159.18 -156.37 0.52 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.775 0.798 . . . . 0.0 111.178 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 14' ' ' TRP . . . -124.01 10.85 8.3 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.843 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -16.51 -104.59 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 114.944 -0.628 . . . . 0.0 111.045 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.843 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 CA-C-O 121.015 0.436 . . . . 0.0 109.97 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.57 ' O ' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 92.0 mt -106.54 4.2 27.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.97 0.414 . . . . 0.0 110.066 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 1.176 ' HG ' ' N ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER 74.86 60.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.151 -179.537 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.47 -45.68 98.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.6 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HB3' ' HH2' ' A' ' 14' ' ' TRP . 53.6 ttp180 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.677 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.731 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.464 0.225 0 CA-C-O 120.735 0.303 . . . . 0.0 110.798 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 36.0 Cg_exo . . . . . 0 C--N 1.305 -1.749 0 C-N-CA 122.891 2.394 . . . . 0.0 111.531 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.935 HD23 ' CE3' ' A' ' 14' ' ' TRP . 26.2 mt . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.731 ' SD ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.638 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.568 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.596 ' CB ' ' O ' ' A' ' 6' ' ' PRO . 1.6 m -160.06 -150.91 0.23 Allowed 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.756 0.789 . . . . 0.0 111.108 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.621 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -134.42 1.06 3.99 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 109.211 -1.556 . . . . 0.0 109.211 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.935 ' CE3' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -14.59 -113.29 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 114.867 -0.666 . . . . 0.0 111.925 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.782 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 121.042 0.448 . . . . 0.0 110.007 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.503 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.733 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 18' ' ' LEU . 10.5 mp -96.39 3.17 53.06 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.149 -0.22 . . . . 0.0 111.069 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.612 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 7.8 t 67.82 65.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 110.423 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.45 HG22 ' H ' ' A' ' 20' ' ' VAL . 1.4 m -64.08 -42.04 94.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.763 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HD2' ' HH2' ' A' ' 14' ' ' TRP . 84.3 mtt85 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.485 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.103 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.696 0.284 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.1 Cg_exo . . . . . 0 C--N 1.305 -1.737 0 C-N-CA 122.755 2.303 . . . . 0.0 111.514 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.917 HD23 ' CE3' ' A' ' 14' ' ' TRP . 23.9 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . 1.103 ' SD ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.161 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.612 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.638 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.6 m -161.01 -152.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.503 0.668 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.611 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -130.48 1.55 5.66 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 178.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.917 ' CE3' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -17.23 -108.67 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.072 -0.564 . . . . 0.0 111.488 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.797 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.367 . . . . 0.0 110.262 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.519 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 18' ' ' LEU . 10.8 mp -103.28 7.17 38.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.478 0.18 . . . . 0.0 111.139 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.533 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 50.4 t 72.83 54.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.941 0.401 . . . . 0.0 110.298 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 t -63.84 -44.18 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.283 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.622 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.649 ' HA ' ' HG3' ' A' ' 9' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 120.924 0.393 . . . . 0.0 110.964 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.643 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 16.9 Cg_exo . . . . . 0 C--N 1.303 -1.861 0 C-N-CA 122.829 2.353 . . . . 0.0 111.216 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.6 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 1.1 mm? . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.649 ' HG3' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.382 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.569 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 N--CA 1.444 -0.791 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.643 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.4 m -158.81 -150.27 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.395 0.617 . . . . 0.0 111.196 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -134.97 17.83 4.08 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.836 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -46.69 -114.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.366 -0.417 . . . . 0.0 111.572 -178.815 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.565 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.728 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 96.6 mt -101.54 -0.91 34.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.748 0.308 . . . . 0.0 110.929 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 9.4 t 77.7 89.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.779 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 t -105.16 -14.95 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.368 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.589 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 60.0 ttp180 . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.577 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.919 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.464 0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.716 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.676 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 31.5 Cg_exo . . . . . 0 C--N 1.303 -1.84 0 C-N-CA 122.452 2.102 . . . . 0.0 111.407 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 8' ' ' LEU . 5.9 mt . . . . . 0 CA--C 1.518 -0.258 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.919 ' SD ' HD13 ' A' ' 5' ' ' ILE . 72.4 mtp . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.74 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.557 ' N ' ' HB2' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.676 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 22.7 p -142.31 -152.89 0.43 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.298 0.571 . . . . 0.0 110.589 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.592 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -126.66 -1.26 7.08 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.822 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -14.41 -108.76 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.079 -0.56 . . . . 0.0 111.333 -179.615 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.822 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 121.016 0.436 . . . . 0.0 110.003 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.8 ' C ' HD23 ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.526 0.766 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.8 HD23 ' C ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER -163.45 82.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.599 ' C ' ' O ' ' A' ' 18' ' ' LEU . 14.9 t 14.92 66.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.204 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.31 -44.48 97.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.318 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 59.3 ttm-85 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.001 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.719 0.295 . . . . 0.0 110.783 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.693 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 32.4 Cg_exo . . . . . 0 C--N 1.3 -1.985 0 C-N-CA 122.548 2.165 . . . . 0.0 111.06 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.583 HD23 ' N ' ' A' ' 8' ' ' LEU . 5.5 mt . . . . . 0 CA--C 1.52 -0.2 0 CA-C-O 121.423 0.63 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . 1.001 ' SD ' HD13 ' A' ' 5' ' ' ILE . 70.7 mtp . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.216 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.405 ' N ' ' HB2' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.528 0.864 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.693 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 27.3 p -144.58 -150.69 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.264 0.555 . . . . 0.0 110.816 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.596 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -128.17 -2.31 6.04 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.823 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -16.26 -107.56 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.439 -0.38 . . . . 0.0 111.304 -179.685 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.823 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.958 0.408 . . . . 0.0 110.029 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.535 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.584 ' O ' ' C ' ' A' ' 19' ' ' CYS . 75.5 mt 76.21 61.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.666 0.27 . . . . 0.0 110.502 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.584 ' C ' ' O ' ' A' ' 18' ' ' LEU . 5.6 t 19.87 88.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.069 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.7 t -103.26 -15.88 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.506 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.562 -179.913 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.688 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 18.0 mm . . . . . 0 N--CA 1.467 0.413 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.688 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 19.4 Cg_endo . . . . . 0 C--N 1.303 -1.86 0 C-N-CA 122.134 1.889 . . . . 0.0 111.639 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.622 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 10.3 mt . . . . . 0 CA--C 1.514 -0.421 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.587 ' SD ' HD13 ' A' ' 5' ' ' ILE . 49.8 mtm . . . . . 0 N--CA 1.451 -0.377 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.551 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.526 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 N--CA 1.442 -0.964 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.526 ' SG ' ' C ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -153.02 -157.5 0.8 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.268 0.556 . . . . 0.0 111.31 -179.272 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.549 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -121.39 4.78 11.05 Favored Glycine 0 N--CA 1.46 0.239 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 1.03 ' CE3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -45.78 -179.21 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.078 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.03 HD21 ' CE3' ' A' ' 14' ' ' TRP . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.07 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.7 mt -101.59 0.34 36.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 110.541 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t 62.44 94.14 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.601 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.576 ' O ' ' C ' ' A' ' 21' ' ' ARG . 2.8 m -112.47 -0.52 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.727 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.622 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 17.2 ptp180 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.708 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 21.7 mm . . . . . 0 N--CA 1.466 0.356 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 9.8 Cg_endo . . . . . 0 C--N 1.307 -1.61 0 C-N-CA 121.596 1.531 . . . . 0.0 110.949 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.017 HD23 ' HE3' ' A' ' 14' ' ' TRP . 21.2 mt . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.403 ' HG2' ' H ' ' A' ' 9' ' ' MET . 23.9 mmm . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.825 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 1.197 ' N ' ' HG ' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.527 0.784 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.682 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 2.3 m -153.14 -147.47 0.22 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.637 0.732 . . . . 0.0 111.184 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.602 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -134.9 20.98 3.77 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 108.779 -1.728 . . . . 0.0 108.779 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 1.017 ' HE3' HD23 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -42.01 178.99 0.0 OUTLIER 'General case' 0 N--CA 1.46 0.065 0 CA-C-N 115.2 -0.5 . . . . 0.0 109.946 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.917 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.2 pt? . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.613 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.465 ' O ' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 87.1 mt -101.26 -0.03 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.463 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 1.197 ' HG ' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 76.13 83.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.413 -179.724 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.461 ' N ' ' HZ2' ' A' ' 14' ' ' TRP . 96.8 t -61.97 -45.42 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.468 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.61 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.114 HD13 ' SD ' ' A' ' 9' ' ' MET . 20.0 mm . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.698 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 30.8 Cg_endo . . . . . 0 C--N 1.302 -1.897 0 C-N-CA 122.364 2.043 . . . . 0.0 111.75 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.724 HD23 ' N ' ' A' ' 8' ' ' LEU . 2.4 mt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . 1.114 ' SD ' HD13 ' A' ' 5' ' ' ILE . 52.0 mtp . . . . . 0 N--CA 1.454 -0.268 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.188 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.615 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 N--CA 1.445 -0.725 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.678 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -160.37 -153.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.535 0.683 . . . . 0.0 111.823 -179.515 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.569 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -132.2 16.44 4.93 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.755 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -45.73 -114.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.018 0.437 . . . . 0.0 111.429 -179.243 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.755 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.523 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 18' ' ' LEU . 97.2 mt -103.6 9.36 37.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 110.704 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 t 62.12 84.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.496 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 m -111.18 -4.53 11.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.464 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.484 ' HG2' ' OXT' ' A' ' 21' ' ' ARG . 69.4 ttt180 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.502 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.253 0.073 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.602 ' C ' ' HB3' ' A' ' 14' ' ' TRP . 13.3 Cg_exo . . . . . 0 C--N 1.308 -1.563 0 C-N-CA 122.031 1.82 . . . . 0.0 111.234 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.893 HD23 ' CE3' ' A' ' 14' ' ' TRP . 29.5 mt . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.546 ' HG3' ' HA ' ' A' ' 5' ' ' ILE . 43.0 mtm . . . . . 0 N--CA 1.451 -0.402 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.728 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.632 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.531 1.091 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.632 ' SG ' ' C ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -159.91 -159.22 0.7 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.419 0.628 . . . . 0.0 111.289 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.58 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -126.55 5.26 7.59 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.893 ' CE3' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -16.37 -107.42 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.959 -0.62 . . . . 0.0 111.473 179.774 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.801 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.867 0.365 . . . . 0.0 110.11 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.729 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.586 ' O ' ' CB ' ' A' ' 19' ' ' CYS . 81.1 mt -96.57 -57.26 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.586 ' CB ' ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER 154.62 122.9 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.259 -179.584 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.581 ' HB ' ' CZ2' ' A' ' 14' ' ' TRP . 34.6 t -131.62 70.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.175 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.565 ' OXT' ' O ' ' A' ' 8' ' ' LEU . 4.6 tpt180 . . . . . 0 C--O 1.222 -0.38 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.709 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.982 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.155 0 CA-C-O 120.664 0.268 . . . . 0.0 110.969 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 10.6 Cg_exo . . . . . 0 C--N 1.305 -1.729 0 C-N-CA 122.54 2.16 . . . . 0.0 112.43 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.661 HD23 ' N ' ' A' ' 8' ' ' LEU . 3.2 mt . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.982 ' SD ' HD13 ' A' ' 5' ' ' ILE . 65.9 mtp . . . . . 0 N--CA 1.451 -0.381 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.294 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.522 ' N ' ' HB2' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.775 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.636 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.3 m -157.37 -151.73 0.32 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.658 0.742 . . . . 0.0 111.206 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -136.07 16.3 3.94 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 178.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.864 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -31.65 -104.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.128 -0.536 . . . . 0.0 111.543 -179.203 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.889 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.672 0.273 . . . . 0.0 110.643 -178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.534 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.527 0.806 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.571 ' O ' ' C ' ' A' ' 19' ' ' CYS . 86.3 mt 59.73 59.2 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.718 0.295 . . . . 0.0 110.422 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.571 ' C ' ' O ' ' A' ' 18' ' ' LEU . 49.1 t 19.56 92.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.401 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 17' ' ' GLY . 35.6 m -111.11 -5.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.594 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.627 -179.859 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.61 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 12.4 mm . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.679 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 31.7 Cg_exo . . . . . 0 C--N 1.298 -2.079 0 C-N-CA 121.509 1.472 . . . . 0.0 110.449 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.571 HD23 ' CZ3' ' A' ' 14' ' ' TRP . 7.2 mt . . . . . 0 CA--C 1.517 -0.32 0 CA-C-O 121.269 0.557 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.578 ' SD ' HD13 ' A' ' 5' ' ' ILE . 64.1 mtp . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.855 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 29.5 p -143.82 -158.95 0.93 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.511 0.672 . . . . 0.0 111.029 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.575 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -124.38 14.02 7.81 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 177.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.842 ' CE3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -41.89 176.03 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 114.735 -0.732 . . . . 0.0 110.178 -179.761 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.859 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.52 0.399 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.851 ' O ' HG13 ' A' ' 20' ' ' VAL . 87.5 mt -129.44 105.19 7.93 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.552 ' C ' ' O ' ' A' ' 18' ' ' LEU . 4.6 t -28.92 91.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.045 0.45 . . . . 0.0 110.392 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.851 HG13 ' O ' ' A' ' 18' ' ' LEU . 2.9 m -107.68 -2.91 10.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.377 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.519 179.759 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.096 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.63 0.252 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.681 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 34.0 Cg_exo . . . . . 0 C--N 1.302 -1.907 0 C-N-CA 122.183 1.922 . . . . 0.0 110.563 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.595 HD23 ' N ' ' A' ' 8' ' ' LEU . 5.3 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . 1.096 ' SD ' HD13 ' A' ' 5' ' ' ILE . 70.2 mtp . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.481 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.752 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.707 ' SG ' ' CD1' ' A' ' 14' ' ' TRP . 26.1 p -146.25 -154.79 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.241 0.543 . . . . 0.0 110.766 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -125.92 -5.21 6.4 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.725 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -13.95 -110.79 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.192 -0.504 . . . . 0.0 111.577 -179.537 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.725 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 120.803 0.335 . . . . 0.0 110.181 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 97.8 mt -113.1 -0.1 14.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.754 0.311 . . . . 0.0 111.05 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 19.1 t 81.73 77.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.192 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.579 ' O ' ' C ' ' A' ' 21' ' ' ARG . 13.8 m -109.06 -12.53 10.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.694 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 20' ' ' VAL . 9.0 ptm180 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.09 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.88 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.851 0.358 . . . . 0.0 110.424 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 26.5 Cg_exo . . . . . 0 C--N 1.303 -1.842 0 C-N-CA 122.772 2.315 . . . . 0.0 110.965 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.653 HD23 ' N ' ' A' ' 8' ' ' LEU . 3.6 mt . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.88 ' SD ' HD13 ' A' ' 5' ' ' ILE . 2.7 ptm . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.901 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.68 ' N ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.528 0.901 0 N-CA-C 112.409 -0.276 . . . . 0.0 112.409 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.748 ' HG ' ' HG ' ' A' ' 19' ' ' CYS . 21.7 p -137.46 -168.56 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.192 0.52 . . . . 0.0 110.612 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -123.48 3.83 9.46 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 109.097 -1.601 . . . . 0.0 109.097 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.808 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -16.41 -109.98 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 114.849 -0.675 . . . . 0.0 111.577 -179.528 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.808 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.568 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.522 0.531 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 46.2 tp -94.47 -3.27 50.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.089 0.471 . . . . 0.0 109.952 179.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.748 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 73.37 68.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.331 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 t -63.48 -44.21 98.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.479 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.554 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.949 HD13 ' SD ' ' A' ' 9' ' ' MET . 25.0 mm . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 111.414 0.153 . . . . 0.0 111.414 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.716 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 9.9 Cg_exo . . . . . 0 C--N 1.311 -1.406 0 C-N-CA 122.625 2.216 . . . . 0.0 112.003 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.615 HD23 ' N ' ' A' ' 8' ' ' LEU . 4.4 mt . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.949 ' SD ' HD13 ' A' ' 5' ' ' ILE . 32.3 mtm . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.358 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.599 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.527 0.804 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.716 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -161.83 -154.74 0.35 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.542 0.687 . . . . 0.0 111.48 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.558 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -132.36 20.25 4.46 Favored Glycine 0 CA--C 1.523 0.556 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.415 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.859 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -45.72 -112.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.734 0.302 . . . . 0.0 111.175 -179.636 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.859 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 120.817 0.341 . . . . 0.0 110.327 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.661 ' C ' HD12 ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.526 0.735 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.661 HD12 ' C ' ' A' ' 17' ' ' GLY . 4.4 mp -149.04 36.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.517 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.528 ' O ' ' O ' ' A' ' 18' ' ' LEU . 5.9 t 33.27 97.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.089 0.471 . . . . 0.0 110.814 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.501 ' O ' ' OXT' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -110.21 -12.97 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.396 179.79 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.501 ' OXT' ' O ' ' A' ' 20' ' ' VAL . 9.7 ptm180 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.637 ' HA ' ' CG ' ' A' ' 9' ' ' MET . 1.1 mp . . . . . 0 N--CA 1.456 -0.138 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.715 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 42.6 Cg_exo . . . . . 0 C--N 1.303 -1.828 0 C-N-CA 121.804 1.669 . . . . 0.0 110.836 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.651 HD23 ' N ' ' A' ' 8' ' ' LEU . 3.5 mt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.637 ' CG ' ' HA ' ' A' ' 5' ' ' ILE . 44.1 mtm . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.46 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.73 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.715 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 28.3 p -151.39 -158.84 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.447 0.641 . . . . 0.0 111.281 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.571 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -119.02 7.59 12.84 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 1.106 ' CE3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -44.07 179.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.314 -0.443 . . . . 0.0 109.97 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.106 HD21 ' CE3' ' A' ' 14' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.496 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.545 ' O ' ' C ' ' A' ' 19' ' ' CYS . 95.7 mt -108.47 31.34 5.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.917 0.389 . . . . 0.0 110.452 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.545 ' C ' ' O ' ' A' ' 18' ' ' LEU . 5.9 t 27.15 81.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.42 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ARG . 10.5 m -97.46 -5.89 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.533 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' VAL . 12.1 ptt180 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.506 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 121.082 0.468 . . . . 0.0 110.544 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.69 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 31.2 Cg_exo . . . . . 0 C--N 1.301 -1.969 0 C-N-CA 122.91 2.406 . . . . 0.0 111.816 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.558 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 121.004 0.431 . . . . 0.0 110.217 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.538 ' CG ' ' HA ' ' A' ' 5' ' ' ILE . 1.5 mmt . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.898 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.709 ' SG ' ' CD1' ' A' ' 14' ' ' TRP . 21.7 p -162.5 -163.77 0.94 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.379 0.609 . . . . 0.0 111.502 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.583 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -122.63 21.15 7.65 Favored Glycine 0 CA--C 1.522 0.516 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.524 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.729 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -47.02 -114.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.921 0.391 . . . . 0.0 110.751 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.754 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.486 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.556 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.522 0.497 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.454 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 95.9 mt -100.46 4.4 43.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.717 0.294 . . . . 0.0 110.607 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 29.8 t 70.77 80.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.502 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.76 -44.43 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.828 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.62 ' O ' ' HG3' ' A' ' 9' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.533 0 CA-C-O 121.12 0.486 . . . . 0.0 110.135 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.657 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 46.7 Cg_exo . . . . . 0 C--N 1.3 -1.994 0 C-N-CA 122.037 1.825 . . . . 0.0 111.838 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.609 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 3.1 mm? . . . . . 0 CA--C 1.515 -0.391 0 CA-C-O 121.684 0.754 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.62 ' HG3' ' O ' ' A' ' 5' ' ' ILE . 20.1 mmt . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.339 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.657 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 1.5 p -160.53 173.83 14.96 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.57 ' HA2' ' HA2' ' A' ' 17' ' ' GLY . . . -98.53 40.12 2.56 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 110.041 -1.223 . . . . 0.0 110.041 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.798 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -62.36 -115.44 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.724 0.297 . . . . 0.0 111.021 -179.165 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.798 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.57 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.553 ' O ' ' C ' ' A' ' 19' ' ' CYS . 91.9 mt 56.69 61.63 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.299 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.553 ' C ' ' O ' ' A' ' 18' ' ' LEU . 3.5 t 23.76 92.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.562 ' O ' ' C ' ' A' ' 21' ' ' ARG . 3.1 m -121.5 -3.55 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.609 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 17.0 ptp180 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.542 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.002 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.715 0.293 . . . . 0.0 110.621 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.677 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 24.6 Cg_exo . . . . . 0 C--N 1.305 -1.734 0 C-N-CA 122.8 2.333 . . . . 0.0 111.947 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 8' ' ' LEU . 4.7 mt . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . 1.002 ' SD ' HD13 ' A' ' 5' ' ' ILE . 53.1 mtp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.056 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.575 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 N--CA 1.443 -0.885 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.677 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.4 m -159.12 -152.17 0.31 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.7 0.762 . . . . 0.0 111.196 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.568 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -126.07 5.08 7.84 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.559 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 1.009 ' CE3' HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -46.13 -175.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.749 0.309 . . . . 0.0 110.476 -179.639 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.009 HD21 ' CE3' ' A' ' 14' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.65 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.9 mt -95.58 -5.28 42.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 110.721 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 t 69.94 91.44 0.09 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 m -112.41 -1.95 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.49 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.567 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 61.5 ttp180 . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.627 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.66 -36.91 93.96 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.542 ' O ' ' CD2' ' A' ' 8' ' ' LEU . . . 88.57 2.21 79.59 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.662 ' HG3' ' HG ' ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.637 ' CG1' ' O ' ' A' ' 4' ' ' DBU . 0.6 OUTLIER 147.77 -42.85 0.0 OUTLIER Pre-proline 0 N--CA 1.462 0.134 0 O-C-N 123.79 0.681 . . . . 0.0 110.834 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.685 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 24.5 Cg_exo -62.03 1.75 0.79 Allowed 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.732 2.288 . . . . 0.0 111.534 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 1.077 ' HB1' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.7 HD13 HH12 ' A' ' 21' ' ' ARG . 1.9 mm? -64.9 -38.56 91.38 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.583 ' HG3' ' HA ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -63.7 -42.38 97.98 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.9 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 1.077 ' HG2' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.627 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . -159.98 76.55 0.19 Allowed Glycine 0 CA--C 1.528 0.888 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.685 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -163.12 -155.41 0.33 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.606 0.717 . . . . 0.0 111.448 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.591 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -132.82 17.69 4.62 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.406 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.883 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -39.76 -109.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.608 -0.296 . . . . 0.0 111.214 -179.509 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -103.11 -28.1 12.16 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.885 0.374 . . . . 0.0 110.336 -179.383 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.598 ' HB ' HG22 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.525 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 117.59 -61.99 0.42 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.9 mt -111.26 34.47 4.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.793 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.514 ' HB2' ' HG3' ' A' ' 10' ' ' DBB . 12.9 t 42.13 86.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.598 HG22 ' HB ' ' A' ' 16' ' ' DBU . 16.7 m -109.78 -2.59 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.27 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.7 HH12 HD13 ' A' ' 8' ' ' LEU . 61.8 ttp180 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.441 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.74 -37.79 95.22 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.736 ' O ' ' HG3' ' A' ' 4' ' ' DBU . . . 92.81 -1.34 71.12 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.736 ' HG3' ' O ' ' A' ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.931 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.6 OUTLIER 145.73 -41.36 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.378 0 O-C-N 123.829 0.706 . . . . 0.0 110.71 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 25.4 Cg_exo -61.13 11.58 0.06 OUTLIER 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.869 2.379 . . . . 0.0 112.035 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.877 ' HB1' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.76 ' N ' HD22 ' A' ' 8' ' ' LEU . 2.2 mm? -72.41 -38.62 68.35 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.931 ' SD ' HD13 ' A' ' 5' ' ' ILE . 2.8 mtm -63.69 -43.06 97.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.417 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.826 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.718 ' N ' ' SG ' ' A' ' 19' ' ' CYS . . . -170.6 52.8 0.19 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.565 ' SG ' ' C ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -159.18 -156.37 0.52 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.775 0.798 . . . . 0.0 111.178 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 14' ' ' TRP . . . -124.01 10.85 8.3 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.843 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -16.51 -104.59 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 114.944 -0.628 . . . . 0.0 111.045 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.843 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -106.32 -27.02 11.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.015 0.436 . . . . 0.0 109.97 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.57 ' O ' ' HA2' ' A' ' 13' ' ' GLY . . . 110.03 -56.0 0.48 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 92.0 mt -106.54 4.2 27.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.97 0.414 . . . . 0.0 110.066 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.877 ' SG ' ' HB1' ' A' ' 7' ' ' DAL . 0.1 OUTLIER 74.86 60.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.151 -179.537 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.47 -45.68 98.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.6 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.598 ' OXT' ' HG1' ' A' ' 10' ' ' DBB . 53.6 ttp180 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.677 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.32 15.44 78.43 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.657 ' O ' ' C ' ' A' ' 4' ' ' DBU . . . -83.64 -7.87 85.45 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.835 ' N ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.731 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.7 OUTLIER 148.24 -40.83 0.0 OUTLIER Pre-proline 0 N--CA 1.464 0.225 0 O-C-N 123.704 0.627 . . . . 0.0 110.798 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 36.0 Cg_exo -57.73 -7.49 3.32 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.891 2.394 . . . . 0.0 111.531 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.877 ' HB1' ' CG ' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.935 HD23 ' CE3' ' A' ' 14' ' ' TRP . 26.2 mt -81.99 -6.0 58.78 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.731 ' SD ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -96.66 -41.89 8.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.638 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.877 ' CG ' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.708 ' N ' ' HG3' ' A' ' 10' ' ' DBB . . . -179.13 60.1 0.08 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.596 ' CB ' ' O ' ' A' ' 6' ' ' PRO . 1.6 m -160.06 -150.91 0.23 Allowed 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.756 0.789 . . . . 0.0 111.108 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.621 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -134.42 1.06 3.99 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 109.211 -1.556 . . . . 0.0 109.211 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.935 ' CE3' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -14.59 -113.29 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 114.867 -0.666 . . . . 0.0 111.925 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.782 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -103.17 -29.13 11.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.042 0.448 . . . . 0.0 110.007 -179.042 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.874 ' HG1' HG21 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.503 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 109.48 -57.42 0.43 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 18' ' ' LEU . 10.5 mp -96.39 3.17 53.06 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.149 -0.22 . . . . 0.0 111.069 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.612 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 7.8 t 67.82 65.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 110.423 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.874 HG21 ' HG1' ' A' ' 16' ' ' DBU . 1.4 m -64.08 -42.04 94.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.763 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HD2' ' HH2' ' A' ' 14' ' ' TRP . 84.3 mtt85 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.485 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.68 -3.34 68.0 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.01 -38.32 95.87 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.698 ' CA ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.103 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.6 OUTLIER 148.45 -39.15 0.0 OUTLIER Pre-proline 0 N--CA 1.463 0.198 0 O-C-N 123.797 0.686 . . . . 0.0 111.044 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.1 Cg_exo -57.43 -4.51 1.22 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.755 2.303 . . . . 0.0 111.514 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.934 ' HB1' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.917 HD23 ' CE3' ' A' ' 14' ' ' TRP . 23.9 mt -80.38 -6.17 57.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . 1.103 ' SD ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -95.35 -41.17 9.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.161 179.584 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.934 ' HG2' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.612 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . -173.07 63.72 0.13 Allowed Glycine 0 CA--C 1.524 0.616 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.623 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.638 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.6 m -161.01 -152.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.503 0.668 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.611 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -130.48 1.55 5.66 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 178.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.917 ' CE3' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -17.23 -108.67 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.072 -0.564 . . . . 0.0 111.488 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.797 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -107.28 -29.07 9.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.367 . . . . 0.0 110.262 -179.245 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.519 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 116.95 -63.75 0.37 Allowed Glycine 0 CA--C 1.524 0.651 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.298 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 18' ' ' LEU . 10.8 mp -103.28 7.17 38.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.478 0.18 . . . . 0.0 111.139 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.533 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 50.4 t 72.83 54.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.941 0.401 . . . . 0.0 110.298 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 t -63.84 -44.18 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.283 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.622 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.54 130.59 7.54 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.421 ' O ' ' HG2' ' A' ' 4' ' ' DBU . . . -89.06 -7.72 69.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.65 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.649 ' HA ' ' HG3' ' A' ' 9' ' ' MET . 0.6 OUTLIER 150.9 -44.25 0.0 OUTLIER Pre-proline 0 N--CA 1.463 0.19 0 O-C-N 123.786 0.679 . . . . 0.0 110.964 179.307 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.643 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 16.9 Cg_exo -64.75 1.77 1.63 Allowed 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 122.829 2.353 . . . . 0.0 111.216 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 1.038 ' HB1' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.65 ' CD1' ' HG3' ' A' ' 4' ' ' DBU . 1.1 mm? -64.08 -37.69 88.36 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.649 ' HG3' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -62.83 -41.6 99.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.382 -179.697 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 1.038 ' HG2' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.569 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . -164.58 77.57 0.14 Allowed Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.261 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.643 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.4 m -158.81 -150.27 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.395 0.617 . . . . 0.0 111.196 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -134.97 17.83 4.08 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.836 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -46.69 -114.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.366 -0.417 . . . . 0.0 111.572 -178.815 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -97.0 -26.48 15.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.565 -178.772 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.45 ' HB ' HG23 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 120.06 -62.58 0.48 Allowed Glycine 0 CA--C 1.526 0.728 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.03 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 96.6 mt -101.54 -0.91 34.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.748 0.308 . . . . 0.0 110.929 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.519 ' HB2' ' HG3' ' A' ' 10' ' ' DBB . 9.4 t 77.7 89.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.779 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.45 HG23 ' HB ' ' A' ' 16' ' ' DBU . 1.4 t -105.16 -14.95 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.368 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.589 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 60.0 ttp180 . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.577 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.534 ' HA3' ' CG ' ' A' ' 6' ' ' PRO . . . -63.85 -33.23 86.69 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.585 ' O ' ' HG2' ' A' ' 4' ' ' DBU . . . 90.67 8.26 65.77 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 1.043 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.919 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.7 OUTLIER 149.1 -44.96 0.0 OUTLIER Pre-proline 0 N--CA 1.464 0.266 0 O-C-N 123.59 0.556 . . . . 0.0 110.716 179.246 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.676 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 31.5 Cg_exo -57.08 -35.32 98.88 Favored 'Trans proline' 0 C--N 1.303 -1.84 0 C-N-CA 122.452 2.102 . . . . 0.0 111.407 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.869 ' O ' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.043 ' CD1' ' HG3' ' A' ' 4' ' ' DBU . 5.9 mt -77.25 -16.41 59.03 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.919 ' SD ' HD13 ' A' ' 5' ' ' ILE . 72.4 mtp -65.31 -39.48 92.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.74 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.869 ' HG2' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.723 ' N ' ' HG3' ' A' ' 10' ' ' DBB . . . 161.1 55.39 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 C-N-CA 119.893 -1.146 . . . . 0.0 112.49 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.676 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 22.7 p -142.31 -152.89 0.43 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.298 0.571 . . . . 0.0 110.589 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.592 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -126.66 -1.26 7.08 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.822 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -14.41 -108.76 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.079 -0.56 . . . . 0.0 111.333 -179.615 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.822 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -103.13 -26.77 12.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.016 0.436 . . . . 0.0 110.003 -179.737 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.8 ' C ' HD23 ' A' ' 18' ' ' LEU . . . 119.71 -30.27 5.78 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.8 HD23 ' C ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER -163.45 82.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.699 ' HA ' ' HG1' ' A' ' 10' ' ' DBB . 14.9 t 14.92 66.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.204 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.31 -44.48 97.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.318 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 59.3 ttm-85 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.501 ' O ' HD11 ' A' ' 8' ' ' LEU . . . -87.17 154.58 26.53 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.19 -3.67 88.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 1.033 ' HG3' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.001 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.6 OUTLIER 150.33 -44.82 0.0 OUTLIER Pre-proline 0 N--CA 1.462 0.167 0 O-C-N 123.567 0.542 . . . . 0.0 110.783 179.57 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.693 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 32.4 Cg_exo -57.21 -33.86 96.74 Favored 'Trans proline' 0 C--N 1.3 -1.985 0 C-N-CA 122.548 2.165 . . . . 0.0 111.06 -178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.815 ' O ' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.033 HD12 ' HG3' ' A' ' 4' ' ' DBU . 5.5 mt -67.93 -22.5 65.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.423 0.63 . . . . 0.0 109.307 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . 1.001 ' SD ' HD13 ' A' ' 5' ' ' ILE . 70.7 mtp -61.54 -40.68 95.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.216 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.815 ' HG2' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.717 ' N ' ' HG3' ' A' ' 10' ' ' DBB . . . 165.23 57.7 0.02 OUTLIER Glycine 0 CA--C 1.528 0.864 0 C-N-CA 119.982 -1.104 . . . . 0.0 112.449 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.693 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 27.3 p -144.58 -150.69 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.264 0.555 . . . . 0.0 110.816 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.596 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -128.17 -2.31 6.04 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.823 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -16.26 -107.56 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.439 -0.38 . . . . 0.0 111.304 -179.685 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.823 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -114.22 -23.53 9.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.958 0.408 . . . . 0.0 110.029 -179.537 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.535 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . 94.61 90.89 1.68 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.584 ' O ' ' C ' ' A' ' 19' ' ' CYS . 75.5 mt 76.21 61.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.666 0.27 . . . . 0.0 110.502 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.625 ' HA ' ' HG1' ' A' ' 10' ' ' DBB . 5.6 t 19.87 88.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.069 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.7 t -103.26 -15.88 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.506 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.562 -179.913 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.16 8.22 84.06 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.738 ' O ' ' HG2' ' A' ' 4' ' ' DBU . . . -64.74 -37.52 94.45 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.92 ' CB ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.688 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 18.0 mm 109.51 -32.84 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.413 0 O-C-N 124.141 0.9 . . . . 0.0 112.281 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.688 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 19.4 Cg_endo -74.07 58.31 4.18 Favored 'Trans proline' 0 C--N 1.303 -1.86 0 C-N-CA 122.134 1.889 . . . . 0.0 111.639 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 1.022 ' HB1' ' CG ' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.92 HD12 ' CB ' ' A' ' 4' ' ' DBU . 10.3 mt -62.82 -31.04 71.96 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.587 ' SD ' HD13 ' A' ' 5' ' ' ILE . 49.8 mtm -67.5 -39.62 85.17 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.551 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 1.022 ' CG ' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.526 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . -161.25 74.59 0.19 Allowed Glycine 0 N--CA 1.442 -0.964 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.526 ' SG ' ' C ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -153.02 -157.5 0.8 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.268 0.556 . . . . 0.0 111.31 -179.272 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.549 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -121.39 4.78 11.05 Favored Glycine 0 N--CA 1.46 0.239 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 1.03 ' CE3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -45.78 -179.21 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.078 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.03 HD21 ' CE3' ' A' ' 14' ' ' TRP . 0.7 OUTLIER -29.08 -34.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.07 -179.716 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.607 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 12' ' ' CYS . . . 127.92 -47.13 1.04 Allowed Glycine 0 CA--C 1.525 0.692 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.269 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.7 mt -101.59 0.34 36.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 110.541 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.535 ' HB2' ' HG3' ' A' ' 10' ' ' DBB . 7.0 t 62.44 94.14 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.601 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.576 ' O ' ' C ' ' A' ' 21' ' ' ARG . 2.8 m -112.47 -0.52 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.727 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.622 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 17.2 ptp180 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.47 143.58 14.69 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -91.04 104.55 3.18 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 1.125 ' HG3' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.708 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 21.7 mm 106.19 -27.45 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.356 0 O-C-N 123.94 0.775 . . . . 0.0 112.481 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.722 ' HD3' ' C ' ' A' ' 4' ' ' DBU . 9.8 Cg_endo -70.71 -4.23 14.25 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 121.596 1.531 . . . . 0.0 110.949 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.908 ' HB1' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.125 HD12 ' HG3' ' A' ' 4' ' ' DBU . 21.2 mt -75.53 -24.97 56.84 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 177.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.403 ' HG2' ' H ' ' A' ' 9' ' ' MET . 23.9 mmm -71.43 -49.14 44.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.825 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.896 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.714 ' N ' ' SG ' ' A' ' 19' ' ' CYS . . . -176.19 61.19 0.1 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.682 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 2.3 m -153.14 -147.47 0.22 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.637 0.732 . . . . 0.0 111.184 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.602 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -134.9 20.98 3.77 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 108.779 -1.728 . . . . 0.0 108.779 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 1.017 ' HE3' HD23 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -42.01 178.99 0.0 OUTLIER 'General case' 0 N--CA 1.46 0.065 0 CA-C-N 115.2 -0.5 . . . . 0.0 109.946 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.917 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.2 pt? -28.38 -36.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.613 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.625 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.465 ' O ' ' HA2' ' A' ' 13' ' ' GLY . . . 130.82 -56.46 0.74 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 87.1 mt -101.26 -0.03 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.463 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.908 ' SG ' ' HB1' ' A' ' 7' ' ' DAL . 0.0 OUTLIER 76.13 83.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.413 -179.724 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.461 ' N ' ' HZ2' ' A' ' 14' ' ' TRP . 96.8 t -61.97 -45.42 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.468 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.61 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.555 ' HA2' HD21 ' A' ' 8' ' ' LEU . . . 82.02 13.83 78.46 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.85 -1.95 49.19 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 1.01 ' HG3' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.114 HD13 ' SD ' ' A' ' 9' ' ' MET . 20.0 mm 111.31 -33.76 0.0 OUTLIER Pre-proline 0 N--CA 1.47 0.532 0 O-C-N 124.291 0.994 . . . . 0.0 112.043 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.698 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 30.8 Cg_endo -79.4 -6.37 14.62 Favored 'Trans proline' 0 C--N 1.302 -1.897 0 C-N-CA 122.364 2.043 . . . . 0.0 111.75 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 1.037 ' HB1' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.01 HD12 ' HG3' ' A' ' 4' ' ' DBU . 2.4 mt -65.1 -33.09 75.19 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . 1.114 ' SD ' HD13 ' A' ' 5' ' ' ILE . 52.0 mtp -64.53 -40.41 95.57 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.188 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 1.037 ' HG2' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.615 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . -163.84 78.3 0.15 Allowed Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.678 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -160.37 -153.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.535 0.683 . . . . 0.0 111.823 -179.515 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.569 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -132.2 16.44 4.93 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.755 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -45.73 -114.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.018 0.437 . . . . 0.0 111.429 -179.243 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.755 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -93.72 -33.94 13.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 -179.024 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.425 ' HB ' HG22 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.523 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 122.47 -57.13 0.63 Allowed Glycine 0 CA--C 1.525 0.678 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.286 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 18' ' ' LEU . 97.2 mt -103.6 9.36 37.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 110.704 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.485 ' HB2' ' HG3' ' A' ' 10' ' ' DBB . 8.0 t 62.12 84.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.496 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.425 HG22 ' HB ' ' A' ' 16' ' ' DBU . 12.1 m -111.18 -4.53 11.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.464 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.484 ' HG2' ' OXT' ' A' ' 21' ' ' ARG . 69.4 ttt180 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.502 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.78 177.0 51.53 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 4' ' ' DBU . . . 94.49 -7.52 71.57 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.628 ' O ' ' CG1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.628 ' CG1' ' O ' ' A' ' 4' ' ' DBU . 0.2 OUTLIER -175.83 -42.39 0.0 OUTLIER Pre-proline 0 C--N 1.332 -0.158 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.175 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.603 ' CD ' ' H ' ' A' ' 5' ' ' ILE . 13.3 Cg_exo -65.56 84.82 0.22 Allowed 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.031 1.82 . . . . 0.0 111.234 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 1.077 ' HB1' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.893 HD23 ' CE3' ' A' ' 14' ' ' TRP . 29.5 mt -87.55 -27.34 22.64 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.546 ' HG3' ' HA ' ' A' ' 5' ' ' ILE . 43.0 mtm -72.17 -39.71 68.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.728 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 1.077 ' HG3' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.836 ' H ' ' HG3' ' A' ' 10' ' ' DBB . . . 163.81 63.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.091 0 C-N-CA 120.631 -0.795 . . . . 0.0 111.758 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.632 ' SG ' ' C ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -159.91 -159.22 0.7 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.419 0.628 . . . . 0.0 111.289 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.58 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -126.55 5.26 7.59 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.893 ' CE3' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -16.37 -107.42 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.959 -0.62 . . . . 0.0 111.473 179.774 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.801 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -102.28 -29.57 11.6 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.867 0.365 . . . . 0.0 110.11 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 130.92 -50.81 0.88 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.586 ' O ' ' CB ' ' A' ' 19' ' ' CYS . 81.1 mt -96.57 -57.26 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.702 ' HA ' ' HG1' ' A' ' 10' ' ' DBB . 0.0 OUTLIER 154.62 122.9 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.259 -179.584 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.581 ' HB ' ' CZ2' ' A' ' 14' ' ' TRP . 34.6 t -131.62 70.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.175 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.565 ' OXT' ' O ' ' A' ' 8' ' ' LEU . 4.6 tpt180 . . . . . 0 C--O 1.222 -0.38 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.709 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.26 14.85 79.74 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.03 -36.29 93.08 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 1.073 ' HG3' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.982 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.5 OUTLIER 153.55 -40.33 0.0 OUTLIER Pre-proline 0 N--CA 1.462 0.155 0 O-C-N 123.493 0.496 . . . . 0.0 110.969 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 10.6 Cg_exo -65.26 -1.79 5.01 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.54 2.16 . . . . 0.0 112.43 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.838 ' HB1' ' CG ' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.073 HD12 ' HG3' ' A' ' 4' ' ' DBU . 3.2 mt -93.51 -26.21 17.26 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.982 ' SD ' HD13 ' A' ' 5' ' ' ILE . 65.9 mtp -69.0 -39.09 79.53 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.294 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.838 ' CG ' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.608 ' N ' ' HG3' ' A' ' 10' ' ' DBB . . . 176.8 67.59 0.06 OUTLIER Glycine 0 CA--C 1.526 0.775 0 C-N-CA 120.472 -0.871 . . . . 0.0 111.533 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.636 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.3 m -157.37 -151.73 0.32 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.658 0.742 . . . . 0.0 111.206 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -136.07 16.3 3.94 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 178.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.864 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -31.65 -104.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.128 -0.536 . . . . 0.0 111.543 -179.203 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.889 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -118.0 13.3 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.672 0.273 . . . . 0.0 110.643 -178.818 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.63 ' HB ' ' CG2' ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.534 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 98.56 113.15 3.28 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.571 ' O ' ' C ' ' A' ' 19' ' ' CYS . 86.3 mt 59.73 59.2 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.718 0.295 . . . . 0.0 110.422 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.617 ' HB2' ' C ' ' A' ' 10' ' ' DBB . 49.1 t 19.56 92.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.401 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.63 ' CG2' ' HB ' ' A' ' 16' ' ' DBU . 35.6 m -111.11 -5.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.594 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.627 -179.859 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.835 ' O ' HD11 ' A' ' 8' ' ' LEU . . . 77.94 18.84 76.28 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.548 ' O ' ' HG2' ' A' ' 4' ' ' DBU . . . -64.44 -35.2 91.66 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 1.067 ' CG ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.635 ' CB ' ' O ' ' A' ' 4' ' ' DBU . 12.4 mm 109.84 -40.31 0.0 OUTLIER Pre-proline 0 N--CA 1.47 0.547 0 O-C-N 124.277 0.986 . . . . 0.0 112.118 179.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.679 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 31.7 Cg_exo -55.21 -44.66 47.04 Favored 'Trans proline' 0 C--N 1.298 -2.079 0 C-N-CA 121.509 1.472 . . . . 0.0 110.449 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.678 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.067 HD12 ' CG ' ' A' ' 4' ' ' DBU . 7.2 mt -65.22 -29.67 70.49 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.269 0.557 . . . . 0.0 109.521 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.578 ' SD ' HD13 ' A' ' 5' ' ' ILE . 64.1 mtp -61.19 -40.45 93.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.855 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.445 ' CG ' ' N ' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.445 ' N ' ' CG ' ' A' ' 10' ' ' DBB . . . -174.39 57.99 0.13 Allowed Glycine 0 CA--C 1.524 0.603 0 C-N-CA 120.106 -1.045 . . . . 0.0 111.721 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 29.5 p -143.82 -158.95 0.93 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.511 0.672 . . . . 0.0 111.029 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.575 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -124.38 14.02 7.81 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 177.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.842 ' CE3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -41.89 176.03 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 114.735 -0.732 . . . . 0.0 110.178 -179.761 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.859 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -28.97 -34.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.622 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 129.73 -55.03 0.77 Allowed Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.851 ' O ' HG13 ' A' ' 20' ' ' VAL . 87.5 mt -129.44 105.19 7.93 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.552 ' C ' ' O ' ' A' ' 18' ' ' LEU . 4.6 t -28.92 91.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.045 0.45 . . . . 0.0 110.392 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.851 HG13 ' O ' ' A' ' 18' ' ' LEU . 2.9 m -107.68 -2.91 10.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.377 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.519 179.759 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.853 ' O ' HD11 ' A' ' 8' ' ' LEU . . . -87.01 175.64 46.75 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.67 -97.98 0.38 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 1.033 ' HG3' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.096 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.7 OUTLIER 149.98 -43.07 0.0 OUTLIER Pre-proline 0 N--CA 1.462 0.158 0 O-C-N 123.582 0.551 . . . . 0.0 110.937 179.562 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.681 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 34.0 Cg_exo -57.13 -33.36 95.69 Favored 'Trans proline' 0 C--N 1.302 -1.907 0 C-N-CA 122.183 1.922 . . . . 0.0 110.563 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.695 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.033 HD12 ' HG3' ' A' ' 4' ' ' DBU . 5.3 mt -64.06 -24.31 67.66 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . 1.096 ' SD ' HD13 ' A' ' 5' ' ' ILE . 70.2 mtp -63.71 -39.67 94.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.481 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.495 ' HG3' ' HB2' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.427 ' N ' ' HG3' ' A' ' 10' ' ' DBB . . . -166.99 54.6 0.24 Allowed Glycine 0 CA--C 1.526 0.752 0 C-N-CA 120.189 -1.005 . . . . 0.0 111.862 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.707 ' SG ' ' CD1' ' A' ' 14' ' ' TRP . 26.1 p -146.25 -154.79 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.241 0.543 . . . . 0.0 110.766 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -125.92 -5.21 6.4 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.725 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -13.95 -110.79 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.192 -0.504 . . . . 0.0 111.577 -179.537 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.725 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -103.64 -29.96 10.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.803 0.335 . . . . 0.0 110.181 -179.053 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.579 ' HB ' HG22 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 128.52 -59.63 0.68 Allowed Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.285 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 97.8 mt -113.1 -0.1 14.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.754 0.311 . . . . 0.0 111.05 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 19.1 t 81.73 77.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.192 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.579 HG22 ' HB ' ' A' ' 16' ' ' DBU . 13.8 m -109.06 -12.53 10.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.694 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 20' ' ' VAL . 9.0 ptm180 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.09 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.79 8.87 85.33 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.19 102.27 0.2 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 1.126 ' HG3' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.88 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.5 OUTLIER 154.45 -46.37 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.424 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 26.5 Cg_exo -61.44 -26.54 81.3 Favored 'Trans proline' 0 C--N 1.303 -1.842 0 C-N-CA 122.772 2.315 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.832 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.126 HD12 ' HG3' ' A' ' 4' ' ' DBU . 3.6 mt -90.9 -4.27 56.67 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.234 -0.986 . . . . 0.0 109.179 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.88 ' SD ' HD13 ' A' ' 5' ' ' ILE . 2.7 ptm -103.36 -36.92 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.901 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.832 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.667 ' N ' ' SG ' ' A' ' 19' ' ' CYS . . . 68.36 38.43 87.16 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.409 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.732 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 21.7 p -137.46 -168.56 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.192 0.52 . . . . 0.0 110.612 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -123.48 3.83 9.46 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 109.097 -1.601 . . . . 0.0 109.097 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.808 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -16.41 -109.98 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 114.849 -0.675 . . . . 0.0 111.577 -179.528 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.808 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -101.36 -27.03 13.39 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.507 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.568 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 123.48 -62.69 0.56 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 46.2 tp -94.47 -3.27 50.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.089 0.471 . . . . 0.0 109.952 179.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.732 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 73.37 68.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.331 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 t -63.48 -44.21 98.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.479 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.554 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.15 -36.86 94.01 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.98 84.06 1.24 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 1.0 ' CG ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.949 HD13 ' SD ' ' A' ' 9' ' ' MET . 25.0 mm -161.97 -46.17 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.414 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.716 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 9.9 Cg_exo -69.27 -14.95 38.53 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.625 2.216 . . . . 0.0 112.003 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 1.067 ' HB1' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.0 HD12 ' CG ' ' A' ' 4' ' ' DBU . 4.4 mt -64.06 -32.1 73.53 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.949 ' SD ' HD13 ' A' ' 5' ' ' ILE . 32.3 mtm -64.12 -41.86 97.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.358 178.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 1.067 ' HG2' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.599 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . -163.28 77.31 0.16 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.716 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -161.83 -154.74 0.35 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.542 0.687 . . . . 0.0 111.48 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.558 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -132.36 20.25 4.46 Favored Glycine 0 CA--C 1.523 0.556 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.415 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.859 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -45.72 -112.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.734 0.302 . . . . 0.0 111.175 -179.636 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.859 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -98.99 -26.96 14.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.817 0.341 . . . . 0.0 110.327 -179.265 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.426 ' HB ' HG23 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.661 ' C ' HD12 ' A' ' 18' ' ' LEU . . . 104.14 -22.08 35.89 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.185 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.661 HD12 ' C ' ' A' ' 17' ' ' GLY . 4.4 mp -149.04 36.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.517 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' O ' ' O ' ' A' ' 18' ' ' LEU . 5.9 t 33.27 97.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.089 0.471 . . . . 0.0 110.814 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.501 ' O ' ' OXT' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -110.21 -12.97 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.396 179.79 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.501 ' OXT' ' O ' ' A' ' 20' ' ' VAL . 9.7 ptm180 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.772 ' HA3' HD11 ' A' ' 8' ' ' LEU . . . -84.53 -173.67 49.95 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.36 -42.12 99.72 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 1.074 ' HG3' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.032 HD12 ' O ' ' A' ' 4' ' ' DBU . 1.1 mp -152.69 -46.71 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.783 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.715 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 42.6 Cg_exo -54.41 -35.36 84.47 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 121.804 1.669 . . . . 0.0 110.836 -178.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.682 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.074 HD12 ' HG3' ' A' ' 4' ' ' DBU . 3.5 mt -63.25 -26.17 68.66 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.637 ' CG ' ' HA ' ' A' ' 5' ' ' ILE . 44.1 mtm -62.44 -39.57 93.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.46 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.528 ' HG3' ' HB2' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.422 ' N ' ' CG ' ' A' ' 10' ' ' DBB . . . -174.07 67.34 0.11 Allowed Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.724 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.715 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 28.3 p -151.39 -158.84 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.447 0.641 . . . . 0.0 111.281 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.571 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -119.02 7.59 12.84 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 1.106 ' CE3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -44.07 179.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.314 -0.443 . . . . 0.0 109.97 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.106 HD21 ' CE3' ' A' ' 14' ' ' TRP . 0.4 OUTLIER -27.83 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.022 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.628 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.496 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 129.47 -43.17 1.33 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.545 ' O ' ' C ' ' A' ' 19' ' ' CYS . 95.7 mt -108.47 31.34 5.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.917 0.389 . . . . 0.0 110.452 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.545 ' C ' ' O ' ' A' ' 18' ' ' LEU . 5.9 t 27.15 81.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.42 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ARG . 10.5 m -97.46 -5.89 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.533 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' VAL . 12.1 ptt180 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.506 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.85 -38.91 97.32 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.546 ' O ' ' HG ' ' A' ' 8' ' ' LEU . . . 78.86 18.22 75.58 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.734 ' HG3' ' HG ' ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.614 ' CG1' ' O ' ' A' ' 4' ' ' DBU . 0.6 OUTLIER 149.21 -45.4 0.0 OUTLIER Pre-proline 0 N--CA 1.463 0.194 0 O-C-N 123.89 0.744 . . . . 0.0 110.544 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.69 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 31.2 Cg_exo -58.65 -20.84 52.51 Favored 'Trans proline' 0 C--N 1.301 -1.969 0 C-N-CA 122.91 2.406 . . . . 0.0 111.816 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.756 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.734 ' HG ' ' HG3' ' A' ' 4' ' ' DBU . 0.7 OUTLIER -53.88 -29.26 40.89 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.217 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.538 ' CG ' ' HA ' ' A' ' 5' ' ' ILE . 1.5 mmt -62.1 -40.28 95.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.898 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.741 ' HG2' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.414 ' N ' ' CG ' ' A' ' 10' ' ' DBB . . . -167.79 73.12 0.15 Allowed Glycine 0 CA--C 1.531 1.039 0 C-N-CA 120.581 -0.819 . . . . 0.0 111.514 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.709 ' SG ' ' CD1' ' A' ' 14' ' ' TRP . 21.7 p -162.5 -163.77 0.94 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.379 0.609 . . . . 0.0 111.502 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.583 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -122.63 21.15 7.65 Favored Glycine 0 CA--C 1.522 0.516 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.524 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.756 ' CD2' ' HA ' ' A' ' 7' ' ' DAL . 0.2 OUTLIER -47.02 -114.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.921 0.391 . . . . 0.0 110.751 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.754 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -91.53 -40.02 11.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.486 -179.557 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.423 ' HB ' HG23 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.556 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 123.57 -58.88 0.62 Allowed Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.454 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 95.9 mt -100.46 4.4 43.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.717 0.294 . . . . 0.0 110.607 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' HB2' ' HG3' ' A' ' 10' ' ' DBB . 29.8 t 70.77 80.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.502 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.423 HG23 ' HB ' ' A' ' 16' ' ' DBU . 74.9 t -64.76 -44.43 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.828 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.17 14.43 81.76 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.83 -37.18 94.29 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 0.75 ' HB ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.62 ' O ' ' HG3' ' A' ' 9' ' ' MET . 0.0 OUTLIER 154.36 -44.42 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.533 0 CA-C-N 114.097 -1.41 . . . . 0.0 110.135 -179.722 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.657 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 46.7 Cg_exo -55.21 -50.0 14.5 Favored 'Trans proline' 0 C--N 1.3 -1.994 0 C-N-CA 122.037 1.825 . . . . 0.0 111.838 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.831 ' O ' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.75 HD23 ' HB ' ' A' ' 4' ' ' DBU . 3.1 mm? -63.04 -38.28 90.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.684 0.754 . . . . 0.0 110.013 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.62 ' HG3' ' O ' ' A' ' 5' ' ' ILE . 20.1 mmt -52.23 -43.27 64.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.339 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.831 ' HG2' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.777 ' N ' ' HG3' ' A' ' 10' ' ' DBB . . . 170.98 64.45 0.04 OUTLIER Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.137 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.657 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 1.5 p -160.53 173.83 14.96 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.57 ' HA2' ' HA2' ' A' ' 17' ' ' GLY . . . -98.53 40.12 2.56 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 110.041 -1.223 . . . . 0.0 110.041 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.798 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -62.36 -115.44 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.724 0.297 . . . . 0.0 111.021 -179.165 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.798 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -100.53 0.49 39.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 -178.846 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.691 ' HB ' ' CG2' ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.57 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 106.48 112.85 3.73 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.553 ' O ' ' C ' ' A' ' 19' ' ' CYS . 91.9 mt 56.69 61.63 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.299 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.677 ' HB2' ' C ' ' A' ' 10' ' ' DBB . 3.5 t 23.76 92.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.691 ' CG2' ' HB ' ' A' ' 16' ' ' DBU . 3.1 m -121.5 -3.55 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.609 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 17.0 ptp180 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.542 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.479 ' HA ' ' HG3' ' A' ' 6' ' ' PRO . . . . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.69 -3.18 77.97 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 108.24 85.94 1.77 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' DBU . . . . . 1.064 ' HG3' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.002 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.5 OUTLIER 150.33 -42.07 0.0 OUTLIER Pre-proline 0 C--O 1.233 0.207 0 O-C-N 123.577 0.548 . . . . 0.0 110.621 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.677 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 24.6 Cg_exo -62.1 -8.93 13.16 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.8 2.333 . . . . 0.0 111.947 -178.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 1.075 ' HB1' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.064 HD12 ' HG3' ' A' ' 4' ' ' DBU . 4.7 mt -61.46 -31.74 71.7 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . 1.002 ' SD ' HD13 ' A' ' 5' ' ' ILE . 53.1 mtp -66.89 -40.04 87.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.056 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 1.075 ' HG2' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.575 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . -165.14 81.02 0.11 Allowed Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.382 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.677 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.4 m -159.12 -152.17 0.31 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.7 0.762 . . . . 0.0 111.196 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.568 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -126.07 5.08 7.84 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.559 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 1.009 ' CE3' HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -46.13 -175.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.749 0.309 . . . . 0.0 110.476 -179.639 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.009 HD21 ' CE3' ' A' ' 14' ' ' TRP . 0.4 OUTLIER -28.3 -37.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.65 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' DBU . . . . . 0.608 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 12' ' ' CYS . . . 131.37 -48.6 0.96 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.9 mt -95.58 -5.28 42.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 110.721 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.477 ' HB2' ' HG3' ' A' ' 10' ' ' DBB . 8.6 t 69.94 91.44 0.09 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.403 ' CG2' ' HG1' ' A' ' 16' ' ' DBU . 6.5 m -112.41 -1.95 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.49 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.567 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 61.5 ttp180 . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.627 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.864 0.364 . . . . 0.0 110.834 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.685 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 24.5 Cg_exo . . . . . 0 C--N 1.304 -1.781 0 C-N-CA 122.732 2.288 . . . . 0.0 111.534 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.7 HD13 HH12 ' A' ' 21' ' ' ARG . 1.9 mm? . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.583 ' HG3' ' HA ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.211 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.627 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.528 0.888 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.685 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -163.12 -155.41 0.33 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.606 0.717 . . . . 0.0 111.448 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.591 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -132.82 17.69 4.62 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.406 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.883 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -39.76 -109.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.608 -0.296 . . . . 0.0 111.214 -179.509 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.452 0 CA-C-O 120.885 0.374 . . . . 0.0 110.336 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.525 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.9 mt -111.26 34.47 4.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.793 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.9 t 42.13 86.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.7 m -109.78 -2.59 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.27 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.7 HH12 HD13 ' A' ' 8' ' ' LEU . 61.8 ttp180 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.441 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.931 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.378 0 CA-C-O 120.657 0.265 . . . . 0.0 110.71 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 25.4 Cg_exo . . . . . 0 N--CA 1.497 1.697 0 C-N-CA 122.869 2.379 . . . . 0.0 112.035 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.76 ' N ' HD22 ' A' ' 8' ' ' LEU . 2.2 mm? . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.931 ' SD ' HD13 ' A' ' 5' ' ' ILE . 2.8 mtm . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.417 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 1.176 ' N ' ' HG ' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.528 0.869 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.565 ' SG ' ' C ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -159.18 -156.37 0.52 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.775 0.798 . . . . 0.0 111.178 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 14' ' ' TRP . . . -124.01 10.85 8.3 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.843 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -16.51 -104.59 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 114.944 -0.628 . . . . 0.0 111.045 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.843 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 CA-C-O 121.015 0.436 . . . . 0.0 109.97 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.57 ' O ' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 92.0 mt -106.54 4.2 27.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.97 0.414 . . . . 0.0 110.066 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 1.176 ' HG ' ' N ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER 74.86 60.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.151 -179.537 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.47 -45.68 98.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.6 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HB3' ' HH2' ' A' ' 14' ' ' TRP . 53.6 ttp180 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.677 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.731 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.464 0.225 0 CA-C-O 120.735 0.303 . . . . 0.0 110.798 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 36.0 Cg_exo . . . . . 0 C--N 1.305 -1.749 0 C-N-CA 122.891 2.394 . . . . 0.0 111.531 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.935 HD23 ' CE3' ' A' ' 14' ' ' TRP . 26.2 mt . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.731 ' SD ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.638 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.568 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.596 ' CB ' ' O ' ' A' ' 6' ' ' PRO . 1.6 m -160.06 -150.91 0.23 Allowed 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.756 0.789 . . . . 0.0 111.108 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.621 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -134.42 1.06 3.99 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 109.211 -1.556 . . . . 0.0 109.211 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.935 ' CE3' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -14.59 -113.29 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 114.867 -0.666 . . . . 0.0 111.925 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.782 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 121.042 0.448 . . . . 0.0 110.007 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.503 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.733 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 18' ' ' LEU . 10.5 mp -96.39 3.17 53.06 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.149 -0.22 . . . . 0.0 111.069 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.612 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 7.8 t 67.82 65.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 110.423 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.45 HG22 ' H ' ' A' ' 20' ' ' VAL . 1.4 m -64.08 -42.04 94.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.763 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HD2' ' HH2' ' A' ' 14' ' ' TRP . 84.3 mtt85 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.485 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.103 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.696 0.284 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.1 Cg_exo . . . . . 0 C--N 1.305 -1.737 0 C-N-CA 122.755 2.303 . . . . 0.0 111.514 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.917 HD23 ' CE3' ' A' ' 14' ' ' TRP . 23.9 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 1.103 ' SD ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.161 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.612 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.638 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.6 m -161.01 -152.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.503 0.668 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.611 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -130.48 1.55 5.66 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 178.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.917 ' CE3' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -17.23 -108.67 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.072 -0.564 . . . . 0.0 111.488 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.797 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.367 . . . . 0.0 110.262 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.519 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 18' ' ' LEU . 10.8 mp -103.28 7.17 38.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.478 0.18 . . . . 0.0 111.139 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.533 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 50.4 t 72.83 54.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.941 0.401 . . . . 0.0 110.298 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 t -63.84 -44.18 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.283 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.622 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.649 ' HA ' ' HG3' ' A' ' 9' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 120.924 0.393 . . . . 0.0 110.964 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.643 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 16.9 Cg_exo . . . . . 0 C--N 1.303 -1.861 0 C-N-CA 122.829 2.353 . . . . 0.0 111.216 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.6 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 1.1 mm? . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.649 ' HG3' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.382 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.569 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 N--CA 1.444 -0.791 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.643 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.4 m -158.81 -150.27 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.395 0.617 . . . . 0.0 111.196 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -134.97 17.83 4.08 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.836 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -46.69 -114.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.366 -0.417 . . . . 0.0 111.572 -178.815 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.565 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.728 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 96.6 mt -101.54 -0.91 34.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.748 0.308 . . . . 0.0 110.929 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 9.4 t 77.7 89.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.779 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 t -105.16 -14.95 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.368 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.589 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 60.0 ttp180 . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.577 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.919 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.464 0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.716 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.676 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 31.5 Cg_exo . . . . . 0 C--N 1.303 -1.84 0 C-N-CA 122.452 2.102 . . . . 0.0 111.407 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 8' ' ' LEU . 5.9 mt . . . . . 0 CA--C 1.518 -0.258 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.919 ' SD ' HD13 ' A' ' 5' ' ' ILE . 72.4 mtp . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.74 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.557 ' N ' ' HB2' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.676 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 22.7 p -142.31 -152.89 0.43 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.298 0.571 . . . . 0.0 110.589 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.592 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -126.66 -1.26 7.08 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.822 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -14.41 -108.76 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.079 -0.56 . . . . 0.0 111.333 -179.615 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.822 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 121.016 0.436 . . . . 0.0 110.003 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.8 ' C ' HD23 ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.526 0.766 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.8 HD23 ' C ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER -163.45 82.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.599 ' C ' ' O ' ' A' ' 18' ' ' LEU . 14.9 t 14.92 66.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.204 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.31 -44.48 97.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.318 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 59.3 ttm-85 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.001 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.719 0.295 . . . . 0.0 110.783 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.693 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 32.4 Cg_exo . . . . . 0 C--N 1.3 -1.985 0 C-N-CA 122.548 2.165 . . . . 0.0 111.06 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.583 HD23 ' N ' ' A' ' 8' ' ' LEU . 5.5 mt . . . . . 0 CA--C 1.52 -0.2 0 CA-C-O 121.423 0.63 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 1.001 ' SD ' HD13 ' A' ' 5' ' ' ILE . 70.7 mtp . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.216 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.405 ' N ' ' HB2' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.528 0.864 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.693 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 27.3 p -144.58 -150.69 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.264 0.555 . . . . 0.0 110.816 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.596 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -128.17 -2.31 6.04 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.823 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -16.26 -107.56 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.439 -0.38 . . . . 0.0 111.304 -179.685 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.823 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.958 0.408 . . . . 0.0 110.029 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.535 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.584 ' O ' ' C ' ' A' ' 19' ' ' CYS . 75.5 mt 76.21 61.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.666 0.27 . . . . 0.0 110.502 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.584 ' C ' ' O ' ' A' ' 18' ' ' LEU . 5.6 t 19.87 88.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.069 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.7 t -103.26 -15.88 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.506 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.562 -179.913 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.688 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 18.0 mm . . . . . 0 N--CA 1.467 0.413 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.688 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 19.4 Cg_endo . . . . . 0 C--N 1.303 -1.86 0 C-N-CA 122.134 1.889 . . . . 0.0 111.639 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.622 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 10.3 mt . . . . . 0 CA--C 1.514 -0.421 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.587 ' SD ' HD13 ' A' ' 5' ' ' ILE . 49.8 mtm . . . . . 0 N--CA 1.451 -0.377 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.551 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.526 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 N--CA 1.442 -0.964 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.526 ' SG ' ' C ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -153.02 -157.5 0.8 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.268 0.556 . . . . 0.0 111.31 -179.272 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.549 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -121.39 4.78 11.05 Favored Glycine 0 N--CA 1.46 0.239 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 1.03 ' CE3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -45.78 -179.21 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.078 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.03 HD21 ' CE3' ' A' ' 14' ' ' TRP . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.07 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.7 mt -101.59 0.34 36.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 110.541 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t 62.44 94.14 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.601 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.576 ' O ' ' C ' ' A' ' 21' ' ' ARG . 2.8 m -112.47 -0.52 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.727 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.622 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 17.2 ptp180 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.708 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 21.7 mm . . . . . 0 N--CA 1.466 0.356 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 9.8 Cg_endo . . . . . 0 C--N 1.307 -1.61 0 C-N-CA 121.596 1.531 . . . . 0.0 110.949 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.017 HD23 ' HE3' ' A' ' 14' ' ' TRP . 21.2 mt . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.403 ' HG2' ' H ' ' A' ' 9' ' ' MET . 23.9 mmm . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.825 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 1.197 ' N ' ' HG ' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.527 0.784 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.682 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 2.3 m -153.14 -147.47 0.22 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.637 0.732 . . . . 0.0 111.184 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.602 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -134.9 20.98 3.77 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 108.779 -1.728 . . . . 0.0 108.779 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 1.017 ' HE3' HD23 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -42.01 178.99 0.0 OUTLIER 'General case' 0 N--CA 1.46 0.065 0 CA-C-N 115.2 -0.5 . . . . 0.0 109.946 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.917 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.2 pt? . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.613 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.465 ' O ' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 87.1 mt -101.26 -0.03 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.463 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 1.197 ' HG ' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 76.13 83.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.413 -179.724 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.461 ' N ' ' HZ2' ' A' ' 14' ' ' TRP . 96.8 t -61.97 -45.42 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.468 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.61 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.114 HD13 ' SD ' ' A' ' 9' ' ' MET . 20.0 mm . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.698 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 30.8 Cg_endo . . . . . 0 C--N 1.302 -1.897 0 C-N-CA 122.364 2.043 . . . . 0.0 111.75 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.724 HD23 ' N ' ' A' ' 8' ' ' LEU . 2.4 mt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 1.114 ' SD ' HD13 ' A' ' 5' ' ' ILE . 52.0 mtp . . . . . 0 N--CA 1.454 -0.268 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.188 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.615 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 N--CA 1.445 -0.725 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.678 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -160.37 -153.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.535 0.683 . . . . 0.0 111.823 -179.515 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.569 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -132.2 16.44 4.93 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.755 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -45.73 -114.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.018 0.437 . . . . 0.0 111.429 -179.243 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.755 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.523 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 18' ' ' LEU . 97.2 mt -103.6 9.36 37.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 110.704 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.0 t 62.12 84.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.496 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 m -111.18 -4.53 11.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.464 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.484 ' OXT' ' HG2' ' A' ' 21' ' ' ARG . 69.4 ttt180 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.502 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.253 0.073 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.602 ' C ' ' HB3' ' A' ' 14' ' ' TRP . 13.3 Cg_exo . . . . . 0 C--N 1.308 -1.563 0 C-N-CA 122.031 1.82 . . . . 0.0 111.234 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.893 HD23 ' CE3' ' A' ' 14' ' ' TRP . 29.5 mt . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.546 ' HG3' ' HA ' ' A' ' 5' ' ' ILE . 43.0 mtm . . . . . 0 N--CA 1.451 -0.402 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.728 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.632 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.531 1.091 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.632 ' SG ' ' C ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -159.91 -159.22 0.7 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.419 0.628 . . . . 0.0 111.289 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.58 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -126.55 5.26 7.59 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.893 ' CE3' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -16.37 -107.42 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.959 -0.62 . . . . 0.0 111.473 179.774 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.801 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.867 0.365 . . . . 0.0 110.11 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.729 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.586 ' O ' ' CB ' ' A' ' 19' ' ' CYS . 81.1 mt -96.57 -57.26 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.586 ' CB ' ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER 154.62 122.9 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.259 -179.584 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.581 ' HB ' ' CZ2' ' A' ' 14' ' ' TRP . 34.6 t -131.62 70.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.175 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.565 ' OXT' ' O ' ' A' ' 8' ' ' LEU . 4.6 tpt180 . . . . . 0 C--O 1.222 -0.38 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.709 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.982 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.155 0 CA-C-O 120.664 0.268 . . . . 0.0 110.969 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 10.6 Cg_exo . . . . . 0 C--N 1.305 -1.729 0 C-N-CA 122.54 2.16 . . . . 0.0 112.43 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.661 HD23 ' N ' ' A' ' 8' ' ' LEU . 3.2 mt . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.982 ' SD ' HD13 ' A' ' 5' ' ' ILE . 65.9 mtp . . . . . 0 N--CA 1.451 -0.381 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.294 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.522 ' N ' ' HB2' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.775 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.636 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.3 m -157.37 -151.73 0.32 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.658 0.742 . . . . 0.0 111.206 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -136.07 16.3 3.94 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 178.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.864 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -31.65 -104.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.128 -0.536 . . . . 0.0 111.543 -179.203 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.889 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.672 0.273 . . . . 0.0 110.643 -178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.534 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.527 0.806 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.571 ' O ' ' C ' ' A' ' 19' ' ' CYS . 86.3 mt 59.73 59.2 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.718 0.295 . . . . 0.0 110.422 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.571 ' C ' ' O ' ' A' ' 18' ' ' LEU . 49.1 t 19.56 92.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.401 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 17' ' ' GLY . 35.6 m -111.11 -5.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.594 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.627 -179.859 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.61 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 12.4 mm . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.679 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 31.7 Cg_exo . . . . . 0 C--N 1.298 -2.079 0 C-N-CA 121.509 1.472 . . . . 0.0 110.449 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.571 HD23 ' CZ3' ' A' ' 14' ' ' TRP . 7.2 mt . . . . . 0 CA--C 1.517 -0.32 0 CA-C-O 121.269 0.557 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.578 ' SD ' HD13 ' A' ' 5' ' ' ILE . 64.1 mtp . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.855 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 29.5 p -143.82 -158.95 0.93 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.511 0.672 . . . . 0.0 111.029 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.575 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -124.38 14.02 7.81 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 177.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.842 ' CE3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -41.89 176.03 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 114.735 -0.732 . . . . 0.0 110.178 -179.761 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.859 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.52 0.399 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.851 ' O ' HG13 ' A' ' 20' ' ' VAL . 87.5 mt -129.44 105.19 7.93 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.552 ' C ' ' O ' ' A' ' 18' ' ' LEU . 4.6 t -28.92 91.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.045 0.45 . . . . 0.0 110.392 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.851 HG13 ' O ' ' A' ' 18' ' ' LEU . 2.9 m -107.68 -2.91 10.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.377 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.519 179.759 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.096 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.63 0.252 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.681 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 34.0 Cg_exo . . . . . 0 C--N 1.302 -1.907 0 C-N-CA 122.183 1.922 . . . . 0.0 110.563 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.595 HD23 ' N ' ' A' ' 8' ' ' LEU . 5.3 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 1.096 ' SD ' HD13 ' A' ' 5' ' ' ILE . 70.2 mtp . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.481 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.752 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.707 ' SG ' ' CD1' ' A' ' 14' ' ' TRP . 26.1 p -146.25 -154.79 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.241 0.543 . . . . 0.0 110.766 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -125.92 -5.21 6.4 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.725 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -13.95 -110.79 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.192 -0.504 . . . . 0.0 111.577 -179.537 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.725 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 120.803 0.335 . . . . 0.0 110.181 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 97.8 mt -113.1 -0.1 14.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.754 0.311 . . . . 0.0 111.05 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 19.1 t 81.73 77.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.192 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.579 ' O ' ' C ' ' A' ' 21' ' ' ARG . 13.8 m -109.06 -12.53 10.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.694 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 20' ' ' VAL . 9.0 ptm180 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.09 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.88 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.851 0.358 . . . . 0.0 110.424 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 26.5 Cg_exo . . . . . 0 C--N 1.303 -1.842 0 C-N-CA 122.772 2.315 . . . . 0.0 110.965 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.653 HD23 ' N ' ' A' ' 8' ' ' LEU . 3.6 mt . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.88 ' SD ' HD13 ' A' ' 5' ' ' ILE . 2.7 ptm . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.901 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.68 ' N ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.528 0.901 0 N-CA-C 112.409 -0.276 . . . . 0.0 112.409 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.748 ' HG ' ' HG ' ' A' ' 19' ' ' CYS . 21.7 p -137.46 -168.56 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.192 0.52 . . . . 0.0 110.612 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -123.48 3.83 9.46 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 109.097 -1.601 . . . . 0.0 109.097 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.808 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -16.41 -109.98 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 114.849 -0.675 . . . . 0.0 111.577 -179.528 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.808 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.568 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.522 0.531 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 46.2 tp -94.47 -3.27 50.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.089 0.471 . . . . 0.0 109.952 179.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.748 ' HG ' ' HG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 73.37 68.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.331 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 t -63.48 -44.21 98.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.479 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.554 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.949 HD13 ' SD ' ' A' ' 9' ' ' MET . 25.0 mm . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 111.414 0.153 . . . . 0.0 111.414 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.716 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 9.9 Cg_exo . . . . . 0 C--N 1.311 -1.406 0 C-N-CA 122.625 2.216 . . . . 0.0 112.003 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.615 HD23 ' N ' ' A' ' 8' ' ' LEU . 4.4 mt . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.949 ' SD ' HD13 ' A' ' 5' ' ' ILE . 32.3 mtm . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.358 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.599 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.527 0.804 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.716 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -161.83 -154.74 0.35 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.542 0.687 . . . . 0.0 111.48 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.558 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -132.36 20.25 4.46 Favored Glycine 0 CA--C 1.523 0.556 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.415 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.859 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -45.72 -112.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.734 0.302 . . . . 0.0 111.175 -179.636 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.859 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 120.817 0.341 . . . . 0.0 110.327 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.661 ' C ' HD12 ' A' ' 18' ' ' LEU . . . . . . . . 0 CA--C 1.526 0.735 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.661 HD12 ' C ' ' A' ' 17' ' ' GLY . 4.4 mp -149.04 36.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.517 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.528 ' O ' ' O ' ' A' ' 18' ' ' LEU . 5.9 t 33.27 97.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.089 0.471 . . . . 0.0 110.814 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.501 ' O ' ' OXT' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -110.21 -12.97 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.396 179.79 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.501 ' OXT' ' O ' ' A' ' 20' ' ' VAL . 9.7 ptm180 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.637 ' HA ' ' CG ' ' A' ' 9' ' ' MET . 1.1 mp . . . . . 0 N--CA 1.456 -0.138 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.715 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 42.6 Cg_exo . . . . . 0 C--N 1.303 -1.828 0 C-N-CA 121.804 1.669 . . . . 0.0 110.836 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.651 HD23 ' N ' ' A' ' 8' ' ' LEU . 3.5 mt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.637 ' CG ' ' HA ' ' A' ' 5' ' ' ILE . 44.1 mtm . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.46 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.73 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.715 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 28.3 p -151.39 -158.84 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.447 0.641 . . . . 0.0 111.281 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.571 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -119.02 7.59 12.84 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 1.106 ' CE3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -44.07 179.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.314 -0.443 . . . . 0.0 109.97 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.106 HD21 ' CE3' ' A' ' 14' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.496 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.715 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.545 ' O ' ' C ' ' A' ' 19' ' ' CYS . 95.7 mt -108.47 31.34 5.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.917 0.389 . . . . 0.0 110.452 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.545 ' C ' ' O ' ' A' ' 18' ' ' LEU . 5.9 t 27.15 81.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.42 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ARG . 10.5 m -97.46 -5.89 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.533 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' VAL . 12.1 ptt180 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.506 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 121.082 0.468 . . . . 0.0 110.544 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.69 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 31.2 Cg_exo . . . . . 0 C--N 1.301 -1.969 0 C-N-CA 122.91 2.406 . . . . 0.0 111.816 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.558 HD22 ' CZ3' ' A' ' 14' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 121.004 0.431 . . . . 0.0 110.217 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.538 ' CG ' ' HA ' ' A' ' 5' ' ' ILE . 1.5 mmt . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.898 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.709 ' SG ' ' CD1' ' A' ' 14' ' ' TRP . 21.7 p -162.5 -163.77 0.94 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.379 0.609 . . . . 0.0 111.502 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.583 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -122.63 21.15 7.65 Favored Glycine 0 CA--C 1.522 0.516 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.524 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.729 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -47.02 -114.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.921 0.391 . . . . 0.0 110.751 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.754 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.486 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.556 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.522 0.497 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.454 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 95.9 mt -100.46 4.4 43.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.717 0.294 . . . . 0.0 110.607 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 29.8 t 70.77 80.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.502 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.76 -44.43 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.397 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.828 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.62 ' O ' ' HG3' ' A' ' 9' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.533 0 CA-C-O 121.12 0.486 . . . . 0.0 110.135 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.657 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 46.7 Cg_exo . . . . . 0 C--N 1.3 -1.994 0 C-N-CA 122.037 1.825 . . . . 0.0 111.838 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.609 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 3.1 mm? . . . . . 0 CA--C 1.515 -0.391 0 CA-C-O 121.684 0.754 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.62 ' HG3' ' O ' ' A' ' 5' ' ' ILE . 20.1 mmt . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.339 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.657 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 1.5 p -160.53 173.83 14.96 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.57 ' HA2' ' HA2' ' A' ' 17' ' ' GLY . . . -98.53 40.12 2.56 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 110.041 -1.223 . . . . 0.0 110.041 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.798 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -62.36 -115.44 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.724 0.297 . . . . 0.0 111.021 -179.165 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.798 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.57 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.553 ' O ' ' C ' ' A' ' 19' ' ' CYS . 91.9 mt 56.69 61.63 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.299 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.553 ' C ' ' O ' ' A' ' 18' ' ' LEU . 3.5 t 23.76 92.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.562 ' O ' ' C ' ' A' ' 21' ' ' ARG . 3.1 m -121.5 -3.55 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.609 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 17.0 ptp180 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.542 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.002 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.715 0.293 . . . . 0.0 110.621 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.677 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 24.6 Cg_exo . . . . . 0 C--N 1.305 -1.734 0 C-N-CA 122.8 2.333 . . . . 0.0 111.947 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 8' ' ' LEU . 4.7 mt . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 1.002 ' SD ' HD13 ' A' ' 5' ' ' ILE . 53.1 mtp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.056 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.575 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 N--CA 1.443 -0.885 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.677 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.4 m -159.12 -152.17 0.31 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.7 0.762 . . . . 0.0 111.196 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.568 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -126.07 5.08 7.84 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.559 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 1.009 ' CE3' HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -46.13 -175.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.749 0.309 . . . . 0.0 110.476 -179.639 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.009 HD21 ' CE3' ' A' ' 14' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.65 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.9 mt -95.58 -5.28 42.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 110.721 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 t 69.94 91.44 0.09 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 m -112.41 -1.95 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.49 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.567 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 61.5 ttp180 . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.627 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.66 -36.91 93.96 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.542 ' O ' ' CD2' ' A' ' 8' ' ' LEU . . . 88.57 2.21 79.59 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.662 ' HG3' ' HG ' ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.637 ' CG1' ' O ' ' A' ' 4' ' ' DBU . 0.6 OUTLIER 147.77 -42.85 0.0 OUTLIER Pre-proline 0 N--CA 1.462 0.134 0 O-C-N 123.79 0.681 . . . . 0.0 110.834 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.685 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 24.5 Cg_exo -62.03 1.75 0.79 Allowed 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.732 2.288 . . . . 0.0 111.534 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 1.077 ' HB1' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.7 HD13 HH12 ' A' ' 21' ' ' ARG . 1.9 mm? -64.9 -38.56 91.38 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.583 ' HG3' ' HA ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -63.7 -42.38 97.98 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.9 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 1.077 ' HG2' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.627 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . -159.98 76.55 0.19 Allowed Glycine 0 CA--C 1.528 0.888 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.685 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -163.12 -155.41 0.33 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.606 0.717 . . . . 0.0 111.448 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.591 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -132.82 17.69 4.62 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.406 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.883 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -39.76 -109.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.608 -0.296 . . . . 0.0 111.214 -179.509 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -103.11 -28.1 12.16 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.885 0.374 . . . . 0.0 110.336 -179.383 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.598 ' HB ' HG22 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.525 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 117.59 -61.99 0.42 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.9 mt -111.26 34.47 4.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.793 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.514 ' HB2' ' HG3' ' A' ' 10' ' ' DBB . 12.9 t 42.13 86.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.598 HG22 ' HB ' ' A' ' 16' ' ' DBU . 16.7 m -109.78 -2.59 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.27 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.7 HH12 HD13 ' A' ' 8' ' ' LEU . 61.8 ttp180 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.441 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.74 -37.79 95.22 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.736 ' O ' ' HG3' ' A' ' 4' ' ' DBU . . . 92.81 -1.34 71.12 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.736 ' HG3' ' O ' ' A' ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.931 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.6 OUTLIER 145.73 -41.36 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.378 0 O-C-N 123.829 0.706 . . . . 0.0 110.71 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 25.4 Cg_exo -61.13 11.58 0.06 OUTLIER 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 122.869 2.379 . . . . 0.0 112.035 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.877 ' HB1' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.76 ' N ' HD22 ' A' ' 8' ' ' LEU . 2.2 mm? -72.41 -38.62 68.35 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.931 ' SD ' HD13 ' A' ' 5' ' ' ILE . 2.8 mtm -63.69 -43.06 97.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.417 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.826 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.718 ' N ' ' SG ' ' A' ' 19' ' ' CYS . . . -170.6 52.8 0.19 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.565 ' SG ' ' C ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -159.18 -156.37 0.52 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.775 0.798 . . . . 0.0 111.178 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 14' ' ' TRP . . . -124.01 10.85 8.3 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.843 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -16.51 -104.59 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 114.944 -0.628 . . . . 0.0 111.045 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.843 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -106.32 -27.02 11.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.015 0.436 . . . . 0.0 109.97 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.57 ' O ' ' HA2' ' A' ' 13' ' ' GLY . . . 110.03 -56.0 0.48 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 92.0 mt -106.54 4.2 27.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.97 0.414 . . . . 0.0 110.066 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.877 ' SG ' ' HB1' ' A' ' 7' ' ' DAL . 0.1 OUTLIER 74.86 60.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.151 -179.537 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.47 -45.68 98.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.6 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.598 ' OXT' ' HG1' ' A' ' 10' ' ' DBB . 53.6 ttp180 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.677 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.32 15.44 78.43 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.657 ' O ' ' C ' ' A' ' 4' ' ' DBU . . . -83.64 -7.87 85.45 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.835 ' N ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.731 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.7 OUTLIER 148.24 -40.83 0.0 OUTLIER Pre-proline 0 N--CA 1.464 0.225 0 O-C-N 123.704 0.627 . . . . 0.0 110.798 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 36.0 Cg_exo -57.73 -7.49 3.32 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.891 2.394 . . . . 0.0 111.531 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.877 ' HB1' ' CG ' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.935 HD23 ' CE3' ' A' ' 14' ' ' TRP . 26.2 mt -81.99 -6.0 58.78 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.731 ' SD ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -96.66 -41.89 8.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.638 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.877 ' CG ' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.708 ' N ' ' HG3' ' A' ' 10' ' ' DBB . . . -179.13 60.1 0.08 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.596 ' CB ' ' O ' ' A' ' 6' ' ' PRO . 1.6 m -160.06 -150.91 0.23 Allowed 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.756 0.789 . . . . 0.0 111.108 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.621 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -134.42 1.06 3.99 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 109.211 -1.556 . . . . 0.0 109.211 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.935 ' CE3' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -14.59 -113.29 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 114.867 -0.666 . . . . 0.0 111.925 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.782 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -103.17 -29.13 11.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.042 0.448 . . . . 0.0 110.007 -179.042 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.874 ' HG1' HG21 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.503 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 109.48 -57.42 0.43 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 18' ' ' LEU . 10.5 mp -96.39 3.17 53.06 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.149 -0.22 . . . . 0.0 111.069 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.612 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 7.8 t 67.82 65.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 110.423 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.874 HG21 ' HG1' ' A' ' 16' ' ' DBU . 1.4 m -64.08 -42.04 94.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.763 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HD2' ' HH2' ' A' ' 14' ' ' TRP . 84.3 mtt85 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.485 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.68 -3.34 68.0 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.01 -38.32 95.87 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.698 ' CA ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.103 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.6 OUTLIER 148.45 -39.15 0.0 OUTLIER Pre-proline 0 N--CA 1.463 0.198 0 O-C-N 123.797 0.686 . . . . 0.0 111.044 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.1 Cg_exo -57.43 -4.51 1.22 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.755 2.303 . . . . 0.0 111.514 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.934 ' HB1' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.917 HD23 ' CE3' ' A' ' 14' ' ' TRP . 23.9 mt -80.38 -6.17 57.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 1.103 ' SD ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -95.35 -41.17 9.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.161 179.584 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.934 ' HG2' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.612 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . -173.07 63.72 0.13 Allowed Glycine 0 CA--C 1.524 0.616 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.623 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.638 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.6 m -161.01 -152.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.503 0.668 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.611 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -130.48 1.55 5.66 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 178.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.917 ' CE3' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -17.23 -108.67 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.072 -0.564 . . . . 0.0 111.488 -179.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.797 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -107.28 -29.07 9.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.367 . . . . 0.0 110.262 -179.245 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.519 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 116.95 -63.75 0.37 Allowed Glycine 0 CA--C 1.524 0.651 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.298 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 18' ' ' LEU . 10.8 mp -103.28 7.17 38.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.478 0.18 . . . . 0.0 111.139 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.533 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 50.4 t 72.83 54.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.941 0.401 . . . . 0.0 110.298 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 t -63.84 -44.18 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.283 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.622 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.54 130.59 7.54 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.421 ' O ' ' HG2' ' A' ' 4' ' ' DBU . . . -89.06 -7.72 69.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.65 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.649 ' HA ' ' HG3' ' A' ' 9' ' ' MET . 0.6 OUTLIER 150.9 -44.25 0.0 OUTLIER Pre-proline 0 N--CA 1.463 0.19 0 O-C-N 123.786 0.679 . . . . 0.0 110.964 179.307 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.643 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 16.9 Cg_exo -64.75 1.77 1.63 Allowed 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 122.829 2.353 . . . . 0.0 111.216 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 1.038 ' HB1' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.65 ' CD1' ' HG3' ' A' ' 4' ' ' DBU . 1.1 mm? -64.08 -37.69 88.36 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.649 ' HG3' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -62.83 -41.6 99.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.382 -179.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 1.038 ' HG2' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.569 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . -164.58 77.57 0.14 Allowed Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.261 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.643 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.4 m -158.81 -150.27 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.395 0.617 . . . . 0.0 111.196 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -134.97 17.83 4.08 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.836 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -46.69 -114.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.366 -0.417 . . . . 0.0 111.572 -178.815 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -97.0 -26.48 15.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.565 -178.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.45 ' HB ' HG23 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 120.06 -62.58 0.48 Allowed Glycine 0 CA--C 1.526 0.728 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.03 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 96.6 mt -101.54 -0.91 34.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.748 0.308 . . . . 0.0 110.929 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.519 ' HB2' ' HG3' ' A' ' 10' ' ' DBB . 9.4 t 77.7 89.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.779 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.45 HG23 ' HB ' ' A' ' 16' ' ' DBU . 1.4 t -105.16 -14.95 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.368 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.589 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 60.0 ttp180 . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.577 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.534 ' HA3' ' CG ' ' A' ' 6' ' ' PRO . . . -63.85 -33.23 86.69 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.585 ' O ' ' HG2' ' A' ' 4' ' ' DBU . . . 90.67 8.26 65.77 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 1.043 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.919 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.7 OUTLIER 149.1 -44.96 0.0 OUTLIER Pre-proline 0 N--CA 1.464 0.266 0 O-C-N 123.59 0.556 . . . . 0.0 110.716 179.246 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.676 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 31.5 Cg_exo -57.08 -35.32 98.88 Favored 'Trans proline' 0 C--N 1.303 -1.84 0 C-N-CA 122.452 2.102 . . . . 0.0 111.407 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.869 ' O ' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.043 ' CD1' ' HG3' ' A' ' 4' ' ' DBU . 5.9 mt -77.25 -16.41 59.03 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.919 ' SD ' HD13 ' A' ' 5' ' ' ILE . 72.4 mtp -65.31 -39.48 92.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.74 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.869 ' HG2' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.723 ' N ' ' HG3' ' A' ' 10' ' ' DBB . . . 161.1 55.39 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 C-N-CA 119.893 -1.146 . . . . 0.0 112.49 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.676 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 22.7 p -142.31 -152.89 0.43 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.298 0.571 . . . . 0.0 110.589 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.592 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -126.66 -1.26 7.08 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.822 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -14.41 -108.76 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.079 -0.56 . . . . 0.0 111.333 -179.615 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.822 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -103.13 -26.77 12.9 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.016 0.436 . . . . 0.0 110.003 -179.737 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.8 ' C ' HD23 ' A' ' 18' ' ' LEU . . . 119.71 -30.27 5.78 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.8 HD23 ' C ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER -163.45 82.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.699 ' HA ' ' HG1' ' A' ' 10' ' ' DBB . 14.9 t 14.92 66.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.204 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.31 -44.48 97.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.318 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 59.3 ttm-85 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.501 ' O ' HD11 ' A' ' 8' ' ' LEU . . . -87.17 154.58 26.53 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.19 -3.67 88.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 1.033 ' HG3' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.001 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.6 OUTLIER 150.33 -44.82 0.0 OUTLIER Pre-proline 0 N--CA 1.462 0.167 0 O-C-N 123.567 0.542 . . . . 0.0 110.783 179.57 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.693 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 32.4 Cg_exo -57.21 -33.86 96.74 Favored 'Trans proline' 0 C--N 1.3 -1.985 0 C-N-CA 122.548 2.165 . . . . 0.0 111.06 -178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.815 ' O ' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.033 HD12 ' HG3' ' A' ' 4' ' ' DBU . 5.5 mt -67.93 -22.5 65.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.423 0.63 . . . . 0.0 109.307 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 1.001 ' SD ' HD13 ' A' ' 5' ' ' ILE . 70.7 mtp -61.54 -40.68 95.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.216 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.815 ' HG2' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.717 ' N ' ' HG3' ' A' ' 10' ' ' DBB . . . 165.23 57.7 0.02 OUTLIER Glycine 0 CA--C 1.528 0.864 0 C-N-CA 119.982 -1.104 . . . . 0.0 112.449 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.693 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 27.3 p -144.58 -150.69 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.264 0.555 . . . . 0.0 110.816 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.596 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -128.17 -2.31 6.04 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.823 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -16.26 -107.56 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.439 -0.38 . . . . 0.0 111.304 -179.685 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.823 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -114.22 -23.53 9.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.958 0.408 . . . . 0.0 110.029 -179.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.535 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . 94.61 90.89 1.68 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.584 ' O ' ' C ' ' A' ' 19' ' ' CYS . 75.5 mt 76.21 61.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.666 0.27 . . . . 0.0 110.502 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.625 ' HA ' ' HG1' ' A' ' 10' ' ' DBB . 5.6 t 19.87 88.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.069 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.7 t -103.26 -15.88 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.506 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.562 -179.913 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.16 8.22 84.06 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.738 ' O ' ' HG2' ' A' ' 4' ' ' DBU . . . -64.74 -37.52 94.45 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.92 ' CB ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.688 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 18.0 mm 109.51 -32.84 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.413 0 O-C-N 124.141 0.9 . . . . 0.0 112.281 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.688 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 19.4 Cg_endo -74.07 58.31 4.18 Favored 'Trans proline' 0 C--N 1.303 -1.86 0 C-N-CA 122.134 1.889 . . . . 0.0 111.639 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 1.022 ' HB1' ' CG ' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.92 HD12 ' CB ' ' A' ' 4' ' ' DBU . 10.3 mt -62.82 -31.04 71.96 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.587 ' SD ' HD13 ' A' ' 5' ' ' ILE . 49.8 mtm -67.5 -39.62 85.17 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.551 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 1.022 ' CG ' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.526 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . -161.25 74.59 0.19 Allowed Glycine 0 N--CA 1.442 -0.964 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.526 ' SG ' ' C ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -153.02 -157.5 0.8 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.268 0.556 . . . . 0.0 111.31 -179.272 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.549 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -121.39 4.78 11.05 Favored Glycine 0 N--CA 1.46 0.239 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 1.03 ' CE3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -45.78 -179.21 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.078 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.03 HD21 ' CE3' ' A' ' 14' ' ' TRP . 0.7 OUTLIER -29.08 -34.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.07 -179.716 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.607 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 12' ' ' CYS . . . 127.92 -47.13 1.04 Allowed Glycine 0 CA--C 1.525 0.692 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.269 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.7 mt -101.59 0.34 36.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 110.541 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.535 ' HB2' ' HG3' ' A' ' 10' ' ' DBB . 7.0 t 62.44 94.14 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.601 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.576 ' O ' ' C ' ' A' ' 21' ' ' ARG . 2.8 m -112.47 -0.52 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.727 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.622 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 17.2 ptp180 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.47 143.58 14.69 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -91.04 104.55 3.18 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 1.125 ' HG3' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.708 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 21.7 mm 106.19 -27.45 0.0 OUTLIER Pre-proline 0 N--CA 1.466 0.356 0 O-C-N 123.94 0.775 . . . . 0.0 112.481 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.722 ' HD3' ' C ' ' A' ' 4' ' ' DBU . 9.8 Cg_endo -70.71 -4.23 14.25 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 121.596 1.531 . . . . 0.0 110.949 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.908 ' HB1' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.125 HD12 ' HG3' ' A' ' 4' ' ' DBU . 21.2 mt -75.53 -24.97 56.84 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 177.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.403 ' HG2' ' H ' ' A' ' 9' ' ' MET . 23.9 mmm -71.43 -49.14 44.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.825 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.896 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.714 ' N ' ' SG ' ' A' ' 19' ' ' CYS . . . -176.19 61.19 0.1 Allowed Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.682 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 2.3 m -153.14 -147.47 0.22 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.637 0.732 . . . . 0.0 111.184 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.602 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -134.9 20.98 3.77 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 108.779 -1.728 . . . . 0.0 108.779 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 1.017 ' HE3' HD23 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -42.01 178.99 0.0 OUTLIER 'General case' 0 N--CA 1.46 0.065 0 CA-C-N 115.2 -0.5 . . . . 0.0 109.946 -179.788 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.917 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.2 pt? -28.38 -36.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.613 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.625 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.465 ' O ' ' HA2' ' A' ' 13' ' ' GLY . . . 130.82 -56.46 0.74 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 87.1 mt -101.26 -0.03 36.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.463 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.908 ' SG ' ' HB1' ' A' ' 7' ' ' DAL . 0.0 OUTLIER 76.13 83.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.413 -179.724 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.461 ' N ' ' HZ2' ' A' ' 14' ' ' TRP . 96.8 t -61.97 -45.42 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.468 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.61 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.555 ' HA2' HD21 ' A' ' 8' ' ' LEU . . . 82.02 13.83 78.46 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.85 -1.95 49.19 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 1.01 ' HG3' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.114 HD13 ' SD ' ' A' ' 9' ' ' MET . 20.0 mm 111.31 -33.76 0.0 OUTLIER Pre-proline 0 N--CA 1.47 0.532 0 O-C-N 124.291 0.994 . . . . 0.0 112.043 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.698 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 30.8 Cg_endo -79.4 -6.37 14.62 Favored 'Trans proline' 0 C--N 1.302 -1.897 0 C-N-CA 122.364 2.043 . . . . 0.0 111.75 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 1.037 ' HB1' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.01 HD12 ' HG3' ' A' ' 4' ' ' DBU . 2.4 mt -65.1 -33.09 75.19 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 1.114 ' SD ' HD13 ' A' ' 5' ' ' ILE . 52.0 mtp -64.53 -40.41 95.57 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.188 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 1.037 ' HG2' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.615 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . -163.84 78.3 0.15 Allowed Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.678 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -160.37 -153.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.535 0.683 . . . . 0.0 111.823 -179.515 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.569 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -132.2 16.44 4.93 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.755 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -45.73 -114.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.018 0.437 . . . . 0.0 111.429 -179.243 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.755 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -93.72 -33.94 13.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 -179.024 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.425 ' HB ' HG22 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.523 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 122.47 -57.13 0.63 Allowed Glycine 0 CA--C 1.525 0.678 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.286 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 18' ' ' LEU . 97.2 mt -103.6 9.36 37.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 110.704 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.485 ' HB2' ' HG3' ' A' ' 10' ' ' DBB . 8.0 t 62.12 84.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.496 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.425 HG22 ' HB ' ' A' ' 16' ' ' DBU . 12.1 m -111.18 -4.53 11.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.464 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.484 ' OXT' ' HG2' ' A' ' 21' ' ' ARG . 69.4 ttt180 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.502 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.78 177.0 51.53 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 4' ' ' DBU . . . 94.49 -7.52 71.57 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.628 ' O ' ' CG1' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.628 ' CG1' ' O ' ' A' ' 4' ' ' DBU . 0.2 OUTLIER -175.83 -42.39 0.0 OUTLIER Pre-proline 0 C--N 1.332 -0.158 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.175 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.603 ' CD ' ' H ' ' A' ' 5' ' ' ILE . 13.3 Cg_exo -65.56 84.82 0.22 Allowed 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.031 1.82 . . . . 0.0 111.234 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 1.077 ' HB1' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.893 HD23 ' CE3' ' A' ' 14' ' ' TRP . 29.5 mt -87.55 -27.34 22.64 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.546 ' HG3' ' HA ' ' A' ' 5' ' ' ILE . 43.0 mtm -72.17 -39.71 68.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.728 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 1.077 ' HG3' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.836 ' H ' ' HG3' ' A' ' 10' ' ' DBB . . . 163.81 63.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.091 0 C-N-CA 120.631 -0.795 . . . . 0.0 111.758 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.632 ' SG ' ' C ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -159.91 -159.22 0.7 Allowed 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.419 0.628 . . . . 0.0 111.289 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.58 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -126.55 5.26 7.59 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.893 ' CE3' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -16.37 -107.42 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.959 -0.62 . . . . 0.0 111.473 179.774 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.801 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -102.28 -29.57 11.6 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.867 0.365 . . . . 0.0 110.11 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 130.92 -50.81 0.88 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.586 ' O ' ' CB ' ' A' ' 19' ' ' CYS . 81.1 mt -96.57 -57.26 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.702 ' HA ' ' HG1' ' A' ' 10' ' ' DBB . 0.0 OUTLIER 154.62 122.9 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.259 -179.584 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.581 ' HB ' ' CZ2' ' A' ' 14' ' ' TRP . 34.6 t -131.62 70.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.175 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.565 ' OXT' ' O ' ' A' ' 8' ' ' LEU . 4.6 tpt180 . . . . . 0 C--O 1.222 -0.38 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.709 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.26 14.85 79.74 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.03 -36.29 93.08 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 1.073 ' HG3' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.982 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.5 OUTLIER 153.55 -40.33 0.0 OUTLIER Pre-proline 0 N--CA 1.462 0.155 0 O-C-N 123.493 0.496 . . . . 0.0 110.969 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 10.6 Cg_exo -65.26 -1.79 5.01 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.54 2.16 . . . . 0.0 112.43 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.838 ' HB1' ' CG ' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.073 HD12 ' HG3' ' A' ' 4' ' ' DBU . 3.2 mt -93.51 -26.21 17.26 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.982 ' SD ' HD13 ' A' ' 5' ' ' ILE . 65.9 mtp -69.0 -39.09 79.53 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.294 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.838 ' CG ' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.608 ' N ' ' HG3' ' A' ' 10' ' ' DBB . . . 176.8 67.59 0.06 OUTLIER Glycine 0 CA--C 1.526 0.775 0 C-N-CA 120.472 -0.871 . . . . 0.0 111.533 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.636 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.3 m -157.37 -151.73 0.32 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.658 0.742 . . . . 0.0 111.206 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -136.07 16.3 3.94 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 178.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.864 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -31.65 -104.96 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.128 -0.536 . . . . 0.0 111.543 -179.203 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.889 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -118.0 13.3 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.672 0.273 . . . . 0.0 110.643 -178.818 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.63 ' HB ' ' CG2' ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.534 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 98.56 113.15 3.28 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.571 ' O ' ' C ' ' A' ' 19' ' ' CYS . 86.3 mt 59.73 59.2 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.718 0.295 . . . . 0.0 110.422 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.617 ' HB2' ' C ' ' A' ' 10' ' ' DBB . 49.1 t 19.56 92.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.401 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.63 ' CG2' ' HB ' ' A' ' 16' ' ' DBU . 35.6 m -111.11 -5.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.594 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.627 -179.859 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.835 ' O ' HD11 ' A' ' 8' ' ' LEU . . . 77.94 18.84 76.28 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.548 ' O ' ' HG2' ' A' ' 4' ' ' DBU . . . -64.44 -35.2 91.66 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 1.067 ' CG ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.635 ' CB ' ' O ' ' A' ' 4' ' ' DBU . 12.4 mm 109.84 -40.31 0.0 OUTLIER Pre-proline 0 N--CA 1.47 0.547 0 O-C-N 124.277 0.986 . . . . 0.0 112.118 179.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.679 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 31.7 Cg_exo -55.21 -44.66 47.04 Favored 'Trans proline' 0 C--N 1.298 -2.079 0 C-N-CA 121.509 1.472 . . . . 0.0 110.449 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.678 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.067 HD12 ' CG ' ' A' ' 4' ' ' DBU . 7.2 mt -65.22 -29.67 70.49 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.269 0.557 . . . . 0.0 109.521 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.578 ' SD ' HD13 ' A' ' 5' ' ' ILE . 64.1 mtp -61.19 -40.45 93.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.855 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.445 ' CG ' ' N ' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.445 ' N ' ' CG ' ' A' ' 10' ' ' DBB . . . -174.39 57.99 0.13 Allowed Glycine 0 CA--C 1.524 0.603 0 C-N-CA 120.106 -1.045 . . . . 0.0 111.721 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 29.5 p -143.82 -158.95 0.93 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.511 0.672 . . . . 0.0 111.029 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.575 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -124.38 14.02 7.81 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 177.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.842 ' CE3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -41.89 176.03 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 114.735 -0.732 . . . . 0.0 110.178 -179.761 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.859 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -28.97 -34.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.824 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.622 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 129.73 -55.03 0.77 Allowed Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.851 ' O ' HG13 ' A' ' 20' ' ' VAL . 87.5 mt -129.44 105.19 7.93 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.552 ' C ' ' O ' ' A' ' 18' ' ' LEU . 4.6 t -28.92 91.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.045 0.45 . . . . 0.0 110.392 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.851 HG13 ' O ' ' A' ' 18' ' ' LEU . 2.9 m -107.68 -2.91 10.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.377 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.519 179.759 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.853 ' O ' HD11 ' A' ' 8' ' ' LEU . . . -87.01 175.64 46.75 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 66.67 -97.98 0.38 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 1.033 ' HG3' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.096 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.7 OUTLIER 149.98 -43.07 0.0 OUTLIER Pre-proline 0 N--CA 1.462 0.158 0 O-C-N 123.582 0.551 . . . . 0.0 110.937 179.562 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.681 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 34.0 Cg_exo -57.13 -33.36 95.69 Favored 'Trans proline' 0 C--N 1.302 -1.907 0 C-N-CA 122.183 1.922 . . . . 0.0 110.563 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.695 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.033 HD12 ' HG3' ' A' ' 4' ' ' DBU . 5.3 mt -64.06 -24.31 67.66 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 1.096 ' SD ' HD13 ' A' ' 5' ' ' ILE . 70.2 mtp -63.71 -39.67 94.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.481 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.495 ' HG3' ' HB2' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.427 ' N ' ' HG3' ' A' ' 10' ' ' DBB . . . -166.99 54.6 0.24 Allowed Glycine 0 CA--C 1.526 0.752 0 C-N-CA 120.189 -1.005 . . . . 0.0 111.862 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.707 ' SG ' ' CD1' ' A' ' 14' ' ' TRP . 26.1 p -146.25 -154.79 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.241 0.543 . . . . 0.0 110.766 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -125.92 -5.21 6.4 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.725 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -13.95 -110.79 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.192 -0.504 . . . . 0.0 111.577 -179.537 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.725 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -103.64 -29.96 10.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.803 0.335 . . . . 0.0 110.181 -179.053 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.579 ' HB ' HG22 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 128.52 -59.63 0.68 Allowed Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.285 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 97.8 mt -113.1 -0.1 14.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.754 0.311 . . . . 0.0 111.05 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 19.1 t 81.73 77.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.192 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.579 HG22 ' HB ' ' A' ' 16' ' ' DBU . 13.8 m -109.06 -12.53 10.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.694 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 20' ' ' VAL . 9.0 ptm180 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.09 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.79 8.87 85.33 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.19 102.27 0.2 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 1.126 ' HG3' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.88 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.5 OUTLIER 154.45 -46.37 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.424 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 26.5 Cg_exo -61.44 -26.54 81.3 Favored 'Trans proline' 0 C--N 1.303 -1.842 0 C-N-CA 122.772 2.315 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.832 ' O ' ' HG3' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.126 HD12 ' HG3' ' A' ' 4' ' ' DBU . 3.6 mt -90.9 -4.27 56.67 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 119.234 -0.986 . . . . 0.0 109.179 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.88 ' SD ' HD13 ' A' ' 5' ' ' ILE . 2.7 ptm -103.36 -36.92 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.901 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.832 ' HG3' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.667 ' N ' ' SG ' ' A' ' 19' ' ' CYS . . . 68.36 38.43 87.16 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.409 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.732 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 21.7 p -137.46 -168.56 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.192 0.52 . . . . 0.0 110.612 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -123.48 3.83 9.46 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 109.097 -1.601 . . . . 0.0 109.097 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.808 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -16.41 -109.98 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 114.849 -0.675 . . . . 0.0 111.577 -179.528 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.808 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -101.36 -27.03 13.39 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.507 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.568 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 123.48 -62.69 0.56 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 46.2 tp -94.47 -3.27 50.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.089 0.471 . . . . 0.0 109.952 179.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.732 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 73.37 68.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.331 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 t -63.48 -44.21 98.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.479 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.554 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.15 -36.86 94.01 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.98 84.06 1.24 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 1.0 ' CG ' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.949 HD13 ' SD ' ' A' ' 9' ' ' MET . 25.0 mm -161.97 -46.17 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.414 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.716 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 9.9 Cg_exo -69.27 -14.95 38.53 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.625 2.216 . . . . 0.0 112.003 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 1.067 ' HB1' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.0 HD12 ' CG ' ' A' ' 4' ' ' DBU . 4.4 mt -64.06 -32.1 73.53 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.949 ' SD ' HD13 ' A' ' 5' ' ' ILE . 32.3 mtm -64.12 -41.86 97.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.358 178.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 1.067 ' HG2' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.599 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . -163.28 77.31 0.16 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.716 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -161.83 -154.74 0.35 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.542 0.687 . . . . 0.0 111.48 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.558 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -132.36 20.25 4.46 Favored Glycine 0 CA--C 1.523 0.556 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.415 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.859 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -45.72 -112.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.734 0.302 . . . . 0.0 111.175 -179.636 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.859 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -98.99 -26.96 14.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.817 0.341 . . . . 0.0 110.327 -179.265 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.426 ' HB ' HG23 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.661 ' C ' HD12 ' A' ' 18' ' ' LEU . . . 104.14 -22.08 35.89 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.185 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.661 HD12 ' C ' ' A' ' 17' ' ' GLY . 4.4 mp -149.04 36.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.517 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' O ' ' O ' ' A' ' 18' ' ' LEU . 5.9 t 33.27 97.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.089 0.471 . . . . 0.0 110.814 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.501 ' O ' ' OXT' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -110.21 -12.97 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.396 179.79 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.501 ' OXT' ' O ' ' A' ' 20' ' ' VAL . 9.7 ptm180 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.772 ' HA3' HD11 ' A' ' 8' ' ' LEU . . . -84.53 -173.67 49.95 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.36 -42.12 99.72 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 1.074 ' HG3' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.032 HD12 ' O ' ' A' ' 4' ' ' DBU . 1.1 mp -152.69 -46.71 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.783 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.715 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 42.6 Cg_exo -54.41 -35.36 84.47 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 121.804 1.669 . . . . 0.0 110.836 -178.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.682 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.074 HD12 ' HG3' ' A' ' 4' ' ' DBU . 3.5 mt -63.25 -26.17 68.66 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.637 ' CG ' ' HA ' ' A' ' 5' ' ' ILE . 44.1 mtm -62.44 -39.57 93.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.46 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.528 ' HG3' ' HB2' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.422 ' N ' ' CG ' ' A' ' 10' ' ' DBB . . . -174.07 67.34 0.11 Allowed Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.724 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.715 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 28.3 p -151.39 -158.84 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.447 0.641 . . . . 0.0 111.281 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.571 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -119.02 7.59 12.84 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 178.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 1.106 ' CE3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -44.07 179.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.314 -0.443 . . . . 0.0 109.97 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.106 HD21 ' CE3' ' A' ' 14' ' ' TRP . 0.4 OUTLIER -27.83 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.022 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.628 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.496 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 129.47 -43.17 1.33 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.545 ' O ' ' C ' ' A' ' 19' ' ' CYS . 95.7 mt -108.47 31.34 5.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.917 0.389 . . . . 0.0 110.452 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.545 ' C ' ' O ' ' A' ' 18' ' ' LEU . 5.9 t 27.15 81.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.42 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ARG . 10.5 m -97.46 -5.89 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.533 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' VAL . 12.1 ptt180 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.506 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.85 -38.91 97.32 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.546 ' O ' ' HG ' ' A' ' 8' ' ' LEU . . . 78.86 18.22 75.58 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.734 ' HG3' ' HG ' ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.614 ' CG1' ' O ' ' A' ' 4' ' ' DBU . 0.6 OUTLIER 149.21 -45.4 0.0 OUTLIER Pre-proline 0 N--CA 1.463 0.194 0 O-C-N 123.89 0.744 . . . . 0.0 110.544 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.69 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 31.2 Cg_exo -58.65 -20.84 52.51 Favored 'Trans proline' 0 C--N 1.301 -1.969 0 C-N-CA 122.91 2.406 . . . . 0.0 111.816 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.756 ' HA ' ' CD2' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.734 ' HG ' ' HG3' ' A' ' 4' ' ' DBU . 0.7 OUTLIER -53.88 -29.26 40.89 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.217 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.538 ' CG ' ' HA ' ' A' ' 5' ' ' ILE . 1.5 mmt -62.1 -40.28 95.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.898 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.741 ' HG2' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.414 ' N ' ' CG ' ' A' ' 10' ' ' DBB . . . -167.79 73.12 0.15 Allowed Glycine 0 CA--C 1.531 1.039 0 C-N-CA 120.581 -0.819 . . . . 0.0 111.514 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.709 ' SG ' ' CD1' ' A' ' 14' ' ' TRP . 21.7 p -162.5 -163.77 0.94 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.379 0.609 . . . . 0.0 111.502 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.583 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -122.63 21.15 7.65 Favored Glycine 0 CA--C 1.522 0.516 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.524 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.756 ' CD2' ' HA ' ' A' ' 7' ' ' DAL . 0.2 OUTLIER -47.02 -114.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.921 0.391 . . . . 0.0 110.751 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.754 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -91.53 -40.02 11.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.486 -179.557 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.423 ' HB ' HG23 ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.556 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 123.57 -58.88 0.62 Allowed Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.454 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 95.9 mt -100.46 4.4 43.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.717 0.294 . . . . 0.0 110.607 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' HB2' ' HG3' ' A' ' 10' ' ' DBB . 29.8 t 70.77 80.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.502 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.423 HG23 ' HB ' ' A' ' 16' ' ' DBU . 74.9 t -64.76 -44.43 96.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.828 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.17 14.43 81.76 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.83 -37.18 94.29 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 0.75 ' HB ' HD23 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.62 ' O ' ' HG3' ' A' ' 9' ' ' MET . 0.0 OUTLIER 154.36 -44.42 0.0 OUTLIER Pre-proline 0 N--CA 1.448 -0.533 0 CA-C-N 114.097 -1.41 . . . . 0.0 110.135 -179.722 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.657 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 46.7 Cg_exo -55.21 -50.0 14.5 Favored 'Trans proline' 0 C--N 1.3 -1.994 0 C-N-CA 122.037 1.825 . . . . 0.0 111.838 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.831 ' O ' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.75 HD23 ' HB ' ' A' ' 4' ' ' DBU . 3.1 mm? -63.04 -38.28 90.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.684 0.754 . . . . 0.0 110.013 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.62 ' HG3' ' O ' ' A' ' 5' ' ' ILE . 20.1 mmt -52.23 -43.27 64.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.339 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.831 ' HG2' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.777 ' N ' ' HG3' ' A' ' 10' ' ' DBB . . . 170.98 64.45 0.04 OUTLIER Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.137 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.657 ' SG ' ' O ' ' A' ' 6' ' ' PRO . 1.5 p -160.53 173.83 14.96 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.57 ' HA2' ' HA2' ' A' ' 17' ' ' GLY . . . -98.53 40.12 2.56 Favored Glycine 0 C--N 1.335 0.484 0 N-CA-C 110.041 -1.223 . . . . 0.0 110.041 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.798 ' HB2' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -62.36 -115.44 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.724 0.297 . . . . 0.0 111.021 -179.165 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.798 HD23 ' HB2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -100.53 0.49 39.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 -178.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.691 ' HB ' ' CG2' ' A' ' 20' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.57 ' HA2' ' HA2' ' A' ' 13' ' ' GLY . . . 106.48 112.85 3.73 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.553 ' O ' ' C ' ' A' ' 19' ' ' CYS . 91.9 mt 56.69 61.63 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.299 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.677 ' HB2' ' C ' ' A' ' 10' ' ' DBB . 3.5 t 23.76 92.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.691 ' CG2' ' HB ' ' A' ' 16' ' ' DBU . 3.1 m -121.5 -3.55 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.609 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 17.0 ptp180 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.542 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.479 ' HA ' ' HG3' ' A' ' 6' ' ' PRO . . . . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.69 -3.18 77.97 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 108.24 85.94 1.77 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' DBU . . . . . 1.064 ' HG3' HD12 ' A' ' 8' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.002 HD13 ' SD ' ' A' ' 9' ' ' MET . 0.5 OUTLIER 150.33 -42.07 0.0 OUTLIER Pre-proline 0 C--O 1.233 0.207 0 O-C-N 123.577 0.548 . . . . 0.0 110.621 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.677 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 24.6 Cg_exo -62.1 -8.93 13.16 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.8 2.333 . . . . 0.0 111.947 -178.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 1.075 ' HB1' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.064 HD12 ' HG3' ' A' ' 4' ' ' DBU . 4.7 mt -61.46 -31.74 71.7 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 1.002 ' SD ' HD13 ' A' ' 5' ' ' ILE . 53.1 mtp -66.89 -40.04 87.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.056 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 1.075 ' HG2' ' HB1' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.575 ' C ' ' SG ' ' A' ' 12' ' ' CYS . . . -165.14 81.02 0.11 Allowed Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.382 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.677 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 1.4 m -159.12 -152.17 0.31 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.7 0.762 . . . . 0.0 111.196 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.568 ' O ' ' O ' ' A' ' 14' ' ' TRP . . . -126.07 5.08 7.84 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.559 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 1.009 ' CE3' HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -46.13 -175.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.749 0.309 . . . . 0.0 110.476 -179.639 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.009 HD21 ' CE3' ' A' ' 14' ' ' TRP . 0.4 OUTLIER -28.3 -37.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.65 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' DBU . . . . . 0.608 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 12' ' ' CYS . . . 131.37 -48.6 0.96 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.9 mt -95.58 -5.28 42.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 110.721 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.477 ' HB2' ' HG3' ' A' ' 10' ' ' DBB . 8.6 t 69.94 91.44 0.09 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.403 ' CG2' ' HG1' ' A' ' 16' ' ' DBU . 6.5 m -112.41 -1.95 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.49 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.567 ' NH2' ' O ' ' A' ' 8' ' ' LEU . 61.5 ttp180 . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.627 -179.867 . . . . . . . . 1 1 . 1 stop_ save_