data_2rmh_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2rmh _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.562 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -66.88 -23.48 66.01 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.021 0.438 . . . . 0.0 111.794 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mt -97.35 -45.78 12.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.23 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.492 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -51.1 -53.39 34.58 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.54 179.091 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -55.61 -46.63 77.31 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.874 0.369 . . . . 0.0 110.498 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.42 -52.34 61.95 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.024 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -47.88 77.49 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.879 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.497 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -57.38 -41.66 80.65 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.587 178.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.97 -47.05 61.08 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.403 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.501 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 12.4 mm -54.62 -57.92 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.53 -36.92 64.79 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.994 0.426 . . . . 0.0 110.155 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.3 tmtt? -61.75 -57.56 11.43 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.973 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -36.18 73.67 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -65.73 -45.53 82.33 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 121.377 -0.129 . . . . 0.0 111.056 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -68.74 -39.89 80.11 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.151 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 32.3 mt -54.61 -55.27 31.2 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.475 0.655 . . . . 0.0 110.402 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -28.01 66.36 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.609 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.47 -49.63 52.99 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 120.882 0.372 . . . . 0.0 110.317 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.415 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.813 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.468 0.443 0 CA-C-O 120.634 0.254 . . . . 0.0 111.439 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -51.64 -38.7 55.97 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.487 0.66 . . . . 0.0 111.343 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.411 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -82.55 -46.25 19.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.215 179.01 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.499 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.61 -47.82 66.71 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.226 178.818 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -54.67 -51.79 64.38 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.181 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.451 HD13 HD13 ' A' ' 21' ' ' ILE . 2.9 pp -70.31 -44.06 69.07 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 tp -58.2 -49.06 78.36 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.403 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.499 ' HB2' ' O ' ' A' ' 15' ' ' MET . 1.2 t80 -56.67 -41.8 77.89 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.691 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -47.8 31.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.098 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 26.0 mt -51.49 -59.76 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.83 -37.82 66.63 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.397 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -60.45 -51.14 70.74 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.391 179.479 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.45 -36.5 52.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.475 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -63.61 -45.28 91.04 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.274 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -65.18 -39.96 93.62 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.6 mt -53.12 -55.17 26.07 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.333 0.587 . . . . 0.0 111.219 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.65 -28.15 65.64 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.861 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.27 -50.98 34.03 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 120.981 0.42 . . . . 0.0 109.926 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.253 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.642 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 120.543 0.211 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -53.8 -27.63 30.42 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.821 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.41 HD12 HG23 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -90.5 -46.21 14.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.094 179.022 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -50.86 69.71 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.552 179.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -55.71 -41.67 74.15 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.323 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.7 mt -69.03 -54.22 16.34 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.138 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.3 mt -52.55 -47.13 66.97 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.655 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -56.39 -43.07 78.92 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.565 178.839 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.93 -45.58 41.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.926 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.573 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 35.2 mt -49.08 -61.12 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.43 ' O ' ' ND2' ' A' ' 26' ' ' ASN . . . -54.11 -39.61 66.54 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -56.87 -55.28 36.42 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.3 179.048 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -74.97 -36.57 62.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.252 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -56.46 -45.4 80.89 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.303 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 22' ' ' ALA . 7.3 p30 -75.28 -42.39 54.99 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.127 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.79 -52.93 63.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.003 0.43 . . . . 0.0 111.377 178.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -66.1 -37.65 86.28 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.276 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.07 -42.1 73.24 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.23 0.538 . . . . 0.0 110.696 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--N 1.321 -0.653 0 C-N-CA 120.233 -0.587 . . . . 0.0 112.091 -179.841 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.351 0 CA-C-O 120.533 0.206 . . . . 0.0 111.392 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -57.08 -53.94 52.39 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.59 0.709 . . . . 0.0 110.859 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mt -62.14 -47.73 91.78 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 114.694 -1.139 . . . . 0.0 110.691 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -52.75 58.97 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.703 0.287 . . . . 0.0 110.266 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -57.49 -46.69 83.44 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.504 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.84 -51.68 63.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.763 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.5 mt -56.25 -46.88 79.45 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.631 0.253 . . . . 0.0 110.376 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -56.13 -43.87 78.61 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.331 178.653 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -45.28 72.5 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.351 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.567 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 14.5 mm -55.48 -59.24 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.67 -35.53 61.16 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.948 0.404 . . . . 0.0 110.46 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.12 -51.93 53.27 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.126 179.299 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.25 -35.69 61.37 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -63.0 -45.23 93.37 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.908 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -69.31 -42.51 75.32 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.302 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 42.9 mt -55.3 -55.66 28.94 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.423 0.63 . . . . 0.0 110.794 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -42.79 95.26 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.705 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.74 -45.44 82.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.025 0.44 . . . . 0.0 109.975 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.819 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.266 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -71.66 -11.66 60.95 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -105.23 -47.24 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.152 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.437 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.13 -50.55 61.48 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.64 179.233 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 17' ' ' LEU . 47.8 p-10 -61.3 -48.03 83.23 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.988 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.541 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -62.77 -45.14 94.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.227 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.541 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 18.5 tp -61.8 -49.68 75.36 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 178.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -58.79 -40.03 82.8 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.97 179.042 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -45.99 55.59 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.81 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.527 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 7.9 mm -56.77 -57.4 9.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.97 -36.45 62.9 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.976 0.417 . . . . 0.0 109.976 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.501 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -57.45 -63.12 1.34 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.931 178.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.85 77.8 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -62.72 -41.75 99.31 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.862 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.98 -45.78 33.05 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.473 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 18.8 mt -55.31 -39.47 69.96 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -81.51 -45.22 16.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.04 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.34 95.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.974 0.416 . . . . 0.0 110.31 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.824 179.734 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -53.12 -34.92 58.83 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.504 0.668 . . . . 0.0 111.302 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.436 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 1.1 mp -84.03 -49.61 16.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.065 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -46.84 71.15 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.475 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -57.59 -48.32 79.7 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.643 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -67.21 -42.37 84.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.34 179.123 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.496 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 49.1 mt -60.77 -46.74 89.32 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.65 0.262 . . . . 0.0 110.307 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.5 t80 -55.79 -43.83 77.18 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.017 179.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.56 -45.97 34.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.1 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.563 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 9.4 mm -51.22 -59.01 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.33 66.99 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.135 0.493 . . . . 0.0 109.936 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.3 tppt? -58.06 -61.63 2.41 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.823 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -68.94 -37.54 78.94 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -60.9 -46.08 92.04 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.486 0.184 . . . . 0.0 110.673 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -43.04 66.05 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.059 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.485 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -59.51 -53.8 53.88 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.021 0.438 . . . . 0.0 111.754 179.326 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -67.79 -41.28 83.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.724 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.76 92.62 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.723 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -57.33 -29.61 64.12 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.162 0.506 . . . . 0.0 111.779 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -89.55 -48.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.317 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -49.67 68.85 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.367 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -57.34 -46.06 83.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.957 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.88 -54.48 44.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.934 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.0 mt -52.25 -47.01 66.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.38 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -44.59 68.32 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.506 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.432 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -74.76 -43.9 52.48 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.174 179.003 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.558 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 21.4 mm -48.83 -59.37 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.89 -48.02 70.52 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.432 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -49.98 -51.37 42.09 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.27 178.613 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.56 -37.73 50.05 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.453 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -58.77 -43.46 90.4 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.429 179.338 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -37.63 83.19 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.412 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.7 mt -59.67 -60.29 4.07 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.265 0.555 . . . . 0.0 111.145 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -41.24 90.81 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.654 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.98 85.38 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.576 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.044 179.193 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 120.601 0.239 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -56.25 -32.71 64.74 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.326 0.584 . . . . 0.0 111.326 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -86.4 -43.62 16.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.891 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -55.98 -51.2 68.55 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.416 178.798 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.63 -44.95 81.73 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.04 0.448 . . . . 0.0 110.358 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.69 -54.37 36.6 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.039 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.5 mt -53.35 -47.64 69.2 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.261 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -55.51 -42.91 75.14 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.86 179.048 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.73 -46.29 38.47 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.911 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.55 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 27.9 mm -53.8 -58.1 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.08 -51.1 59.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.7 mtpt -44.92 -61.47 1.6 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.103 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.29 90.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.4 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -62.59 -47.43 83.82 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.985 179.778 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.59 -33.12 75.16 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.269 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 26.0 mt -64.89 -44.02 91.02 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.19 0.519 . . . . 0.0 110.973 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.84 -39.71 26.08 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.252 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.85 -33.7 73.46 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.99 0.424 . . . . 0.0 110.075 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 . . . . . 0 CA--C 1.532 0.27 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.381 179.085 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.349 0 CA-C-O 120.439 0.161 . . . . 0.0 111.406 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -53.44 -43.29 67.92 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.464 0.649 . . . . 0.0 111.289 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 mp -73.74 -46.61 46.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.321 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -50.56 67.99 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.309 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -47.38 78.66 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.062 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.9 mt -59.51 -54.43 46.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.259 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.9 mt -54.45 -47.5 72.82 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.198 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -44.46 74.4 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.171 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.53 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -71.21 -41.73 69.87 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.922 179.355 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.558 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 64.4 mt -54.39 -59.06 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.05 -42.37 69.16 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.53 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 7.0 mtpt -49.53 -64.12 0.9 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.314 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.35 -40.67 81.43 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -59.12 -34.75 72.39 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 111.387 0.143 . . . . 0.0 111.387 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -92.05 -42.72 9.8 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.48 -179.68 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 22.7 mt -45.44 -54.77 6.92 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.474 0.654 . . . . 0.0 110.901 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -40.32 65.8 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.782 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.9 -22.47 65.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.694 0.283 . . . . 0.0 111.453 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -178.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.482 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -55.16 -32.79 62.4 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.235 0.541 . . . . 0.0 111.658 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 mt -87.99 -46.32 15.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.01 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -51.53 46.74 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.466 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -56.19 -46.38 79.44 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.008 0.432 . . . . 0.0 110.16 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.6 mt -60.48 -53.78 53.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.101 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.8 mt -54.87 -48.35 73.06 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.239 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.483 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -56.84 -42.29 79.43 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.442 178.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -46.04 63.13 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.557 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.485 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 69.3 mt -53.96 -59.34 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.38 -34.72 69.14 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.993 0.425 . . . . 0.0 110.347 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -64.55 -46.88 80.93 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.495 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.05 -39.29 26.01 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -62.46 -40.76 97.68 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.425 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -67.5 -42.35 83.01 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.454 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.59 -52.38 65.64 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.545 0.688 . . . . 0.0 110.509 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -45.44 88.32 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.867 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.86 -31.13 69.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.619 0.247 . . . . 0.0 111.333 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -59.62 -21.61 60.66 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.869 0.366 . . . . 0.0 111.93 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 mp -97.54 -48.49 12.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.201 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.67 -52.04 61.25 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -56.8 -41.47 77.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.162 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.403 ' O ' HG12 ' A' ' 21' ' ' ILE . 23.7 mt -65.21 -54.23 32.59 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.281 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.9 mt -51.48 -50.36 60.01 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.57 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.468 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.7 t80 -56.78 -42.28 79.16 Favored 'General case' 0 N--CA 1.461 0.081 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.446 178.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.15 -48.55 62.02 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.311 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 31.7 mm -53.71 -55.4 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -55.06 -47.33 74.97 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -50.88 -56.4 12.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.962 178.714 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.32 -43.37 77.71 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.683 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -59.32 -47.3 85.92 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.802 0.334 . . . . 0.0 110.551 179.483 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.49 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -59.66 -41.05 89.73 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.463 179.298 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.36 -47.95 80.28 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.201 0.524 . . . . 0.0 110.788 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -41.29 55.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.732 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.31 -35.07 76.36 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.022 0.439 . . . . 0.0 110.38 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.56 179.472 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.308 0 CA-C-O 120.292 0.092 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.83 -6.72 40.1 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.422 HD12 HG22 ' A' ' 14' ' ' ILE . 0.9 OUTLIER -104.82 -47.18 9.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.538 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -50.52 68.42 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.622 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 17' ' ' LEU . 44.3 p-10 -57.34 -44.01 83.91 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.499 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 39.5 mt -66.08 -52.72 46.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.251 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.9 mt -53.63 -49.87 66.95 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.855 0.36 . . . . 0.0 110.336 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.404 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -55.76 -42.36 75.33 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.641 178.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.1 -46.53 50.78 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.604 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.527 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 24.0 mm -52.04 -56.56 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -54.26 -46.53 72.66 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.5 tttm -50.01 -59.1 4.21 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.896 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.95 -42.55 80.79 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.026 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -60.58 -45.22 94.75 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.789 0.328 . . . . 0.0 110.616 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.523 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -61.04 -41.52 96.73 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.042 178.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.78 -65.95 0.58 Allowed 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.256 0.55 . . . . 0.0 111.006 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -34.7 59.99 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.048 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.76 -49.67 29.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.819 0.342 . . . . 0.0 110.359 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.224 -0.246 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.133 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 111.446 0.165 . . . . 0.0 111.446 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -52.9 -52.48 57.5 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.575 0.702 . . . . 0.0 110.577 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.27 -49.12 85.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.33 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -50.3 69.05 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.41 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -58.03 -46.37 85.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.015 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.46 -50.7 71.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.191 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.6 mt -55.27 -47.61 75.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.458 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -44.25 75.36 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.326 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -44.11 70.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 16.9 mm -55.37 -56.93 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.08 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.16 -37.23 61.68 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.039 0.447 . . . . 0.0 109.932 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.4 tmtt? -61.27 -55.55 30.66 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.035 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.13 -36.8 66.76 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.718 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -61.55 -44.19 97.49 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.784 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -69.12 -42.96 75.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.929 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 76.0 mt -57.01 -49.45 75.75 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.458 0.646 . . . . 0.0 110.901 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -31.92 63.19 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.669 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.05 -48.92 64.31 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.28 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.361 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.425 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -67.94 -10.19 51.33 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -100.75 -44.74 11.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -54.0 41.51 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -59.46 -44.69 92.92 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.267 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.8 mt -59.77 -50.82 72.32 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.044 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.0 mt -57.0 -48.03 79.42 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -56.88 -43.98 81.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.972 178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -45.18 70.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.492 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.533 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 51.7 mt -53.96 -58.73 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.06 -36.48 60.66 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.995 0.426 . . . . 0.0 110.297 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -61.92 -54.37 42.87 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.409 179.349 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.45 -35.52 60.9 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.67 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -62.93 -42.72 99.89 Favored 'General case' 0 N--CA 1.458 -0.073 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.968 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -71.31 -36.35 71.58 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.917 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 85.7 mt -65.22 -49.06 71.13 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.376 0.607 . . . . 0.0 111.021 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.76 -36.58 73.16 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.974 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.38 -46.07 77.93 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.875 0.369 . . . . 0.0 110.204 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 2.4 pt20 . . . . . 0 C--O 1.234 0.273 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.392 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -67.5 -17.07 64.53 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -101.62 -48.08 11.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.119 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.464 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.08 -52.49 50.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.621 178.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -56.56 -44.69 81.2 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.92 0.39 . . . . 0.0 110.484 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.452 ' O ' HG12 ' A' ' 21' ' ' ILE . 45.8 mt -67.74 -54.53 18.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.657 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.0 tp -53.19 -48.39 68.09 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.746 0.308 . . . . 0.0 110.445 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 15' ' ' MET . 0.5 OUTLIER -57.54 -41.69 81.43 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.449 178.749 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.54 -47.5 60.04 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.368 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.544 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 35.1 mm -54.73 -55.7 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.52 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -53.97 -45.61 71.4 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -50.64 -61.79 1.99 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.047 178.712 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.34 93.34 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.812 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -61.2 -47.45 86.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.653 0.264 . . . . 0.0 110.636 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.52 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -58.97 -43.24 91.33 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.607 179.415 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -58.0 -54.26 48.97 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.135 0.493 . . . . 0.0 111.143 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -70.93 -38.39 72.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.812 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.4 95.4 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 120.936 0.398 . . . . 0.0 110.449 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.744 179.349 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.462 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -62.71 -21.37 65.73 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.85 -45.74 11.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.194 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -52.25 46.76 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.046 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 3.7 p30 -58.83 -43.39 90.66 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.775 0.321 . . . . 0.0 110.586 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.0 -48.16 74.96 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.37 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.5 mt -57.05 -50.19 73.5 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.336 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.536 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -58.82 -41.24 86.38 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.66 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -69.93 -48.47 58.34 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.54 179.581 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.527 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 16.9 mm -54.67 -57.54 6.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.42 -36.73 66.79 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.325 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 3.9 mmtt -63.12 -47.47 82.66 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.651 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.87 -34.99 29.77 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -65.69 -41.22 92.65 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.199 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -64.93 -39.21 93.16 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.538 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.421 ' HA ' ' NE2' ' A' ' 30' ' ' GLN . 30.1 mt -51.92 -57.37 9.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.334 0.588 . . . . 0.0 111.951 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 mtm105 -74.5 -30.85 61.98 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.962 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.59 -44.04 83.27 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.733 0.301 . . . . 0.0 110.592 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 27' ' ' LEU . 2.2 pt20 . . . . . 0 N--CA 1.465 0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.941 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.364 0 CA-C-O 120.584 0.23 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -54.95 -49.24 71.84 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.627 0.727 . . . . 0.0 110.779 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -61.78 -49.02 85.98 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.121 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -48.21 77.25 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.092 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -56.85 -48.91 77.01 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.015 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.54 -50.51 72.37 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.16 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.4 tp -54.91 -47.8 73.9 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.078 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.3 t80 -52.59 -45.88 66.7 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.384 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -45.22 67.44 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.316 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.53 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 19.1 mm -54.81 -56.85 8.57 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.08 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.84 -37.3 68.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 110.198 178.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -64.1 -44.93 90.82 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.216 179.317 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.28 -37.93 27.67 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.636 0.255 . . . . 0.0 111.53 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -61.57 -44.2 97.45 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.122 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -67.84 -42.86 80.77 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.455 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.07 -57.33 12.14 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.299 0.571 . . . . 0.0 111.331 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -41.53 99.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.74 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.28 94.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.952 0.405 . . . . 0.0 109.911 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.714 179.653 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -63.51 -25.01 68.06 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.07 0.462 . . . . 0.0 111.997 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 mt -101.09 -46.57 11.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.134 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.423 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.92 -49.16 66.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.472 178.794 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 12' ' ' THR . 5.6 t-20 -54.95 -47.33 74.64 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.952 0.406 . . . . 0.0 110.157 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.11 -50.83 62.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.198 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -49.49 72.53 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.309 178.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -58.17 -40.85 82.49 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 179.02 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -46.04 56.08 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 17.1 mm -53.98 -61.5 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.88 -36.77 59.68 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.049 0.452 . . . . 0.0 109.972 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.47 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.1 mtpt -58.94 -58.49 8.41 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.131 179.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.84 -36.1 67.39 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -64.03 -43.1 96.61 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.829 -0.169 . . . . 0.0 111.192 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -69.22 -42.3 75.9 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.745 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 66.4 mt -58.25 -55.69 31.66 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.35 0.595 . . . . 0.0 110.512 178.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -39.47 88.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.221 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.93 -44.32 77.11 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.902 0.382 . . . . 0.0 110.182 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.925 179.734 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 120.654 0.264 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -56.97 -53.63 55.86 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.74 0.781 . . . . 0.0 110.692 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.438 ' HA ' ' CG ' ' A' ' 17' ' ' LEU . 2.8 mt -66.18 -44.09 91.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 114.244 -1.344 . . . . 0.0 110.361 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -49.63 68.13 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.669 0.271 . . . . 0.0 110.399 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.35 -51.24 70.64 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.438 ' CG ' ' HA ' ' A' ' 14' ' ' ILE . 3.0 pp -67.35 -43.86 80.44 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.034 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.489 ' HA ' ' HB ' ' A' ' 21' ' ' ILE . 15.1 tp -55.85 -45.54 78.43 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -48.87 -48.97 41.62 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.827 178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.64 -44.59 56.53 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.948 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 10.9 mm -48.92 -56.7 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.05 -38.36 73.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.013 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -62.81 -46.66 86.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.009 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.81 -37.84 39.73 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.688 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -61.68 -44.31 97.19 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.289 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -64.97 -41.25 95.62 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.622 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HA ' ' HG2' ' A' ' 30' ' ' GLN . 81.9 mt -59.05 -56.06 27.08 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.501 0.667 . . . . 0.0 110.747 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -40.25 82.81 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.154 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.63 -44.87 66.3 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.024 0.44 . . . . 0.0 110.706 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' A' ' 27' ' ' LEU . 7.5 pt20 . . . . . 0 C--N 1.327 -0.372 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.497 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -72.39 -6.27 42.26 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.424 HG23 HD12 ' A' ' 14' ' ' ILE . 3.6 mt -112.47 -45.54 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -47.43 65.89 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.367 178.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 17' ' ' LEU . 39.3 p-10 -59.92 -46.73 88.42 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.206 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.407 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 54.3 mt -59.93 -51.35 70.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.092 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 mt -54.5 -51.13 66.07 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.268 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.7 t80 -56.41 -42.33 77.81 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.148 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -68.92 -47.4 65.85 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.25 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.491 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 13.3 mm -53.21 -57.31 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.66 -36.85 65.03 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.017 0.437 . . . . 0.0 110.155 177.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -63.61 -43.98 95.3 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.67 179.47 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.08 -37.58 21.88 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.141 0.275 . . . . 0.0 111.123 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -57.77 -44.42 86.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.276 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -76.05 -41.0 52.09 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.507 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -61.72 -16.67 51.19 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.804 178.726 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.09 -46.46 3.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.643 0.259 . . . . 0.0 110.711 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.16 -26.23 58.93 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 . . . . . 0 CA--C 1.529 0.141 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.312 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 120.47 0.176 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.449 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 36.4 m -59.15 90.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.093 0.473 . . . . 0.0 111.565 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 44.92 39.79 3.9 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.474 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.7 t 77.54 -3.74 2.38 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -102.6 48.55 0.86 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.484 179.116 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.35 74.99 1.28 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.712 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.461 ' O ' HG12 ' A' ' 10' ' ' VAL . 7.0 p -128.92 58.2 35.12 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-O 121.478 0.656 . . . . 0.0 111.812 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HD2' ' HB ' ' A' ' 14' ' ' ILE . 61.2 Cg_endo -71.61 165.54 32.2 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.725 2.283 . . . . 0.0 112.488 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.37 -42.07 30.61 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.897 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -66.88 -23.48 66.01 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.021 0.438 . . . . 0.0 111.794 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.506 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 1.9 mt -97.35 -45.78 12.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.23 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.492 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -51.1 -53.39 34.58 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.54 179.091 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -55.61 -46.63 77.31 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.874 0.369 . . . . 0.0 110.498 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.42 -52.34 61.95 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.024 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -47.88 77.49 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.879 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.497 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -57.38 -41.66 80.65 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.587 178.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.97 -47.05 61.08 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.403 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.501 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 12.4 mm -54.62 -57.92 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.53 -36.92 64.79 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.994 0.426 . . . . 0.0 110.155 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.3 tmtt? -61.75 -57.56 11.43 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.973 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -36.18 73.67 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -65.73 -45.53 82.33 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 121.377 -0.129 . . . . 0.0 111.056 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -68.74 -39.89 80.11 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.151 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 32.3 mt -54.61 -55.27 31.2 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.475 0.655 . . . . 0.0 110.402 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -28.01 66.36 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.609 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.47 -49.63 52.99 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 120.882 0.372 . . . . 0.0 110.317 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.547 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -81.02 -1.76 45.25 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.813 179.322 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.97 -52.49 2.94 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.193 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.32 -16.25 31.54 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.44 2.3 15.37 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.547 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -92.2 -55.26 3.49 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.782 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.83 9.52 30.93 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.405 ' CE1' HD23 ' A' ' 37' ' ' LEU . 19.2 p80 44.94 24.31 0.11 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD23 ' CE1' ' A' ' 36' ' ' HIS . 1.9 pp -171.62 22.4 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.724 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -93.89 -3.32 51.98 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.664 0.269 . . . . 0.0 111.35 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.08 40.18 3.77 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -107.16 -55.83 2.28 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.457 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.6 pt . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.993 -1.003 . . . . 0.0 112.463 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 120.47 0.176 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.434 HG23 HD13 ' A' ' 18' ' ' LEU . 10.2 t -76.5 75.57 3.23 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.384 0.611 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mt -130.64 172.58 11.79 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.065 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.7 m 60.31 43.22 13.88 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.669 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.47 45.8 4.62 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.936 0.398 . . . . 0.0 111.788 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -127.83 79.96 1.93 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.495 0.664 . . . . 0.0 110.655 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 p -129.45 55.09 16.47 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.668 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.491 ' HD2' ' HB ' ' A' ' 14' ' ' ILE . 72.7 Cg_endo -75.5 167.33 26.8 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.805 2.336 . . . . 0.0 112.623 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -48.77 -52.16 25.34 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.634 0.254 . . . . 0.0 111.439 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -51.64 -38.7 55.97 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.487 0.66 . . . . 0.0 111.343 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.491 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 0.9 OUTLIER -82.55 -46.25 19.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.215 179.01 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.499 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.61 -47.82 66.71 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.226 178.818 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -54.67 -51.79 64.38 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.181 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD13 HD13 ' A' ' 21' ' ' ILE . 2.9 pp -70.31 -44.06 69.07 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.434 HD13 HG23 ' A' ' 5' ' ' THR . 14.2 tp -58.2 -49.06 78.36 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.403 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.499 ' HB2' ' O ' ' A' ' 15' ' ' MET . 1.2 t80 -56.67 -41.8 77.89 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.691 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -47.8 31.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.098 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 26.0 mt -51.49 -59.76 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.83 -37.82 66.63 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.397 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -60.45 -51.14 70.74 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.391 179.479 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.45 -36.5 52.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.475 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -63.61 -45.28 91.04 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.274 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -65.18 -39.96 93.62 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.6 mt -53.12 -55.17 26.07 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.333 0.587 . . . . 0.0 111.219 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.65 -28.15 65.64 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.861 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.27 -50.98 34.03 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 120.981 0.42 . . . . 0.0 109.926 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -25.26 62.36 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.642 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.11 -52.06 7.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.766 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.39 81.91 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.19 -53.97 21.2 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.441 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -60.1 -40.67 90.46 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.978 -179.559 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.23 -25.43 61.67 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.971 0.415 . . . . 0.0 111.986 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -81.03 -51.92 7.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.056 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' A' ' 34' ' ' ASN . 1.8 pp -69.84 -30.88 68.48 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.808 0.337 . . . . 0.0 111.68 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.8 ttm -74.06 -24.45 59.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.201 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.96 32.83 4.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.044 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -68.43 -38.26 81.02 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.682 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.461 HD13 HG21 ' A' ' 41' ' ' ILE . 39.6 mm . . . . . 0 C--O 1.252 1.195 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 120.185 0.041 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 m 74.17 136.06 0.05 Allowed 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.4 0.437 . . . . 0.0 111.236 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.2 mt -109.5 177.46 4.73 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 m -160.31 60.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.034 0.445 . . . . 0.0 111.218 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp 59.4 36.64 23.3 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.421 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -90.31 62.17 5.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.76 0.791 . . . . 0.0 110.769 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.0 t -114.95 89.32 19.2 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.457 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.51 ' HG2' ' HB ' ' A' ' 14' ' ' ILE . 95.1 Cg_endo -84.84 157.12 11.77 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.75 2.3 . . . . 0.0 112.864 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.85 -46.99 68.08 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -53.8 -27.63 30.42 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.821 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.51 ' HB ' ' HG2' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -90.5 -46.21 14.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.094 179.022 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -50.86 69.71 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.552 179.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -55.71 -41.67 74.15 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.323 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.7 mt -69.03 -54.22 16.34 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.138 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.3 mt -52.55 -47.13 66.97 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.655 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -56.39 -43.07 78.92 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.565 178.839 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.93 -45.58 41.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.926 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.573 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 35.2 mt -49.08 -61.12 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.43 ' O ' ' ND2' ' A' ' 26' ' ' ASN . . . -54.11 -39.61 66.54 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -56.87 -55.28 36.42 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.3 179.048 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -74.97 -36.57 62.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.252 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -56.46 -45.4 80.89 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.303 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 22' ' ' ALA . 7.3 p30 -75.28 -42.39 54.99 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.127 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.79 -52.93 63.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.003 0.43 . . . . 0.0 111.377 178.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -66.1 -37.65 86.28 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.276 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.552 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -70.07 -42.1 73.24 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.23 0.538 . . . . 0.0 110.696 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 1.6 tp60 -78.45 -17.95 55.59 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.233 -0.587 . . . . 0.0 112.091 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.72 -49.08 4.97 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.595 0.236 . . . . 0.0 111.437 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.08 -4.13 36.52 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -124.5 -5.75 7.63 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 8.9 t-20 -86.76 -64.85 1.08 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.97 5.21 30.16 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.414 ' CD2' ' C ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -108.44 -63.59 1.32 Allowed 'General case' 0 CA--C 1.537 0.444 0 O-C-N 122.393 -0.192 . . . . 0.0 111.298 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mt -53.95 -30.24 45.83 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.948 0.404 . . . . 0.0 111.764 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.5 ttm -58.45 -22.42 54.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.836 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.6 12.67 32.75 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.707 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -133.47 -54.68 0.9 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.811 -0.177 . . . . 0.0 111.09 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.8 mm . . . . . 0 C--O 1.252 1.228 0 CA-C-O 118.647 -0.692 . . . . 0.0 111.468 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.1 p90 . . . . . 0 N--CA 1.495 1.785 0 N-CA-C 111.171 0.063 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 73.49 135.81 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.475 0.485 . . . . 0.0 111.387 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -110.83 51.22 0.78 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.531 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.0 t 58.96 47.83 11.72 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.989 0.424 . . . . 0.0 111.191 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mt -122.06 56.68 1.08 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.632 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -160.72 95.42 1.09 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.397 0.618 . . . . 0.0 111.059 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.2 t -123.3 62.48 21.75 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.895 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.483 ' HG2' ' HB ' ' A' ' 14' ' ' ILE . 52.6 Cg_endo -68.99 166.27 27.21 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.587 2.191 . . . . 0.0 112.427 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.53 -48.64 27.41 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.392 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -57.08 -53.94 52.39 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.59 0.709 . . . . 0.0 110.859 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.483 ' HB ' ' HG2' ' A' ' 11' ' ' PRO . 2.0 mt -62.14 -47.73 91.78 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 114.694 -1.139 . . . . 0.0 110.691 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -52.75 58.97 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.703 0.287 . . . . 0.0 110.266 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -57.49 -46.69 83.44 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.504 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.84 -51.68 63.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.763 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.5 mt -56.25 -46.88 79.45 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.631 0.253 . . . . 0.0 110.376 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -56.13 -43.87 78.61 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.331 178.653 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -45.28 72.5 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.351 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.567 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 14.5 mm -55.48 -59.24 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.67 -35.53 61.16 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.948 0.404 . . . . 0.0 110.46 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.12 -51.93 53.27 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.126 179.299 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.25 -35.69 61.37 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -63.0 -45.23 93.37 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.908 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -69.31 -42.51 75.32 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.302 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 42.9 mt -55.3 -55.66 28.94 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.423 0.63 . . . . 0.0 110.794 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -42.79 95.26 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.705 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.74 -45.44 82.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.025 0.44 . . . . 0.0 109.975 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.58 -38.86 84.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.819 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.17 -52.73 10.24 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.256 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 36' ' ' HIS . . . -59.83 -41.42 91.29 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.732 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.18 -44.61 65.11 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.995 0.426 . . . . 0.0 111.734 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -68.62 -47.09 67.53 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.328 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.4 38.8 0.8 Allowed 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 32' ' ' ALA . 5.9 t-80 -112.72 -56.67 2.38 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.727 0.299 . . . . 0.0 110.99 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.89 -33.85 6.4 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.1 ttp -53.06 -31.47 41.77 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.106 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.91 24.95 12.17 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.317 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.36 -52.83 1.72 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.373 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.077 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' O ' ' HB ' ' A' ' 5' ' ' THR . 1.4 p90 . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 111.134 0.05 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 4' ' ' PHE . 98.9 m 73.28 130.8 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.543 0.527 . . . . 0.0 111.492 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 pp -129.6 134.81 47.92 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.207 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 50.85 21.38 0.94 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.052 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 46.24 38.79 5.39 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.984 0.421 . . . . 0.0 111.416 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.66 56.01 0.17 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.779 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 10' ' ' VAL . 12.7 p 34.6 60.22 2.22 Favored Pre-proline 0 N--CA 1.472 0.643 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.566 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HG2' ' HB ' ' A' ' 14' ' ' ILE . 59.2 Cg_endo -70.3 166.64 27.61 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.522 2.148 . . . . 0.0 112.657 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -40.17 63.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.554 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -71.66 -11.66 60.95 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.424 ' HB ' ' HG2' ' A' ' 11' ' ' PRO . 1.4 mp -105.23 -47.24 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.152 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.437 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.13 -50.55 61.48 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.64 179.233 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 17' ' ' LEU . 47.8 p-10 -61.3 -48.03 83.23 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.988 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.541 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -62.77 -45.14 94.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.227 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.541 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 18.5 tp -61.8 -49.68 75.36 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 178.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -58.79 -40.03 82.8 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.97 179.042 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -45.99 55.59 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.81 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.527 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 7.9 mm -56.77 -57.4 9.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.97 -36.45 62.9 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.976 0.417 . . . . 0.0 109.976 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.501 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -57.45 -63.12 1.34 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.931 178.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.85 77.8 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -62.72 -41.75 99.31 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.862 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.98 -45.78 33.05 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.473 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 18.8 mt -55.31 -39.47 69.96 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -81.51 -45.22 16.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.04 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.34 95.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.974 0.416 . . . . 0.0 110.31 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.431 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 1.3 tt0 -71.99 -31.16 65.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.824 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.79 -50.6 7.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.586 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.52 -34.02 76.87 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.3 -53.71 7.01 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 0.1 OUTLIER -59.72 -32.84 70.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.555 -179.458 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.73 0.48 26.6 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -129.44 -57.59 1.13 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mt -64.57 -46.01 84.59 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.221 0.534 . . . . 0.0 111.72 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -22.96 64.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.778 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.81 -0.3 42.83 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.93 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 2.0 tt0 -94.88 -48.97 5.78 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.197 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.426 ' HB ' ' O ' ' A' ' 40' ' ' GLN . 4.9 mt . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.028 -0.986 . . . . 0.0 111.198 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 120.438 0.161 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -154.72 115.14 3.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.057 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.02 62.39 1.14 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.22 0.533 . . . . 0.0 110.868 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.1 p -144.51 52.31 1.26 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.391 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -118.29 35.15 4.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.021 0.439 . . . . 0.0 111.634 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -92.79 62.77 3.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.336 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.423 HG12 HG22 ' A' ' 14' ' ' ILE . 53.8 t 25.75 71.58 0.38 Allowed Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.708 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.05 174.02 13.52 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.7 2.267 . . . . 0.0 113.086 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.66 -46.06 49.26 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.668 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -53.12 -34.92 58.83 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.504 0.668 . . . . 0.0 111.302 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.436 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 1.1 mp -84.03 -49.61 16.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.065 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -46.84 71.15 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.475 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -57.59 -48.32 79.7 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.643 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -67.21 -42.37 84.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.34 179.123 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.496 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 49.1 mt -60.77 -46.74 89.32 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.65 0.262 . . . . 0.0 110.307 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.5 t80 -55.79 -43.83 77.18 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.017 179.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.56 -45.97 34.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.1 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.563 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 9.4 mm -51.22 -59.01 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.33 66.99 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.135 0.493 . . . . 0.0 109.936 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 1.3 tppt? -58.06 -61.63 2.41 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.823 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -68.94 -37.54 78.94 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -60.9 -46.08 92.04 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.486 0.184 . . . . 0.0 110.673 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -43.04 66.05 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.059 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.485 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -59.51 -53.8 53.88 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.021 0.438 . . . . 0.0 111.754 179.326 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -67.79 -41.28 83.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.724 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.76 92.62 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -35.56 69.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.723 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.93 -52.66 9.02 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.133 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 36' ' ' HIS . . . -61.25 -43.53 98.72 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.844 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.408 ' HB2' ' CD2' ' A' ' 37' ' ' LEU . . . -64.76 -52.71 55.5 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.237 0.541 . . . . 0.0 111.664 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' O ' ' HB2' ' A' ' 38' ' ' MET . 3.9 t30 -60.79 -45.42 94.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.75 41.38 1.04 Allowed 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 32' ' ' ALA . 12.9 t-80 -161.43 -54.01 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.408 ' CD2' ' HB2' ' A' ' 33' ' ' ALA . 1.6 pp -83.93 -5.57 59.24 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -60.38 -20.79 60.88 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -145.05 51.98 1.22 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.949 0.404 . . . . 0.0 111.305 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.24 -37.66 10.91 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.782 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.022 -179.867 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.0 p90 . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 120.313 0.102 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.6 p 49.87 67.6 0.88 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.851 0.358 . . . . 0.0 111.458 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mt 65.88 -179.25 0.19 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.255 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.18 55.19 0.64 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 111.066 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.25 48.21 0.85 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.627 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t70 45.88 89.56 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.143 0.577 . . . . 0.0 112.371 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.52 ' CG2' HG22 ' A' ' 14' ' ' ILE . 7.5 p 39.89 76.49 0.49 Allowed Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.978 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.413 ' HG2' ' HB ' ' A' ' 14' ' ' ILE . 9.3 Cg_endo -51.08 155.76 5.83 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.177 2.585 . . . . 0.0 112.941 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -47.94 -49.92 28.73 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.696 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -57.33 -29.61 64.12 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.162 0.506 . . . . 0.0 111.779 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.52 HG22 ' CG2' ' A' ' 10' ' ' VAL . 1.3 mp -89.55 -48.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.317 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.473 ' HG2' HG21 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -54.2 -49.67 68.85 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.367 178.843 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -57.34 -46.06 83.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.957 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.88 -54.48 44.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.934 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.0 mt -52.25 -47.01 66.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.38 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -44.59 68.32 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.506 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.432 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -74.76 -43.9 52.48 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.174 179.003 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.558 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 21.4 mm -48.83 -59.37 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.89 -48.02 70.52 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.432 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -49.98 -51.37 42.09 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.27 178.613 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.56 -37.73 50.05 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.453 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -58.77 -43.46 90.4 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.429 179.338 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -37.63 83.19 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.412 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.7 mt -59.67 -60.29 4.07 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.265 0.555 . . . . 0.0 111.145 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -41.24 90.81 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.654 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.98 85.38 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.576 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.62 -39.88 70.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.044 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.56 -49.1 17.25 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.06 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.7 -14.66 61.7 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.67 -54.66 2.78 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.942 0.401 . . . . 0.0 111.621 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -66.55 -50.34 63.47 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.66 43.04 1.11 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.045 0.45 . . . . 0.0 111.322 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -148.73 -61.0 0.24 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.583 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mt -77.89 -25.44 48.51 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 37.8 ttm -52.44 -25.96 11.42 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.12 7.88 43.61 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.887 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.85 -46.34 1.04 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.559 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.427 ' HB2' ' CD2' ' A' ' 6' ' ' LEU . 83.3 m-85 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 120.7 0.286 . . . . 0.0 111.359 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 p -83.83 88.41 7.1 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.923 0.392 . . . . 0.0 111.103 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.427 ' CD2' ' HB2' ' A' ' 4' ' ' PHE . 0.6 OUTLIER -144.93 60.43 1.31 Allowed 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.111 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.3 t -131.38 46.39 2.67 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.766 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.99 36.24 12.65 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.13 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.1 64.61 2.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 110.667 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 9.2 p -118.34 85.22 24.9 Favored Pre-proline 0 CA--C 1.54 0.584 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.517 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.473 ' HG2' ' HB ' ' A' ' 14' ' ' ILE . 97.7 Cg_endo -78.87 156.08 26.96 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.538 2.159 . . . . 0.0 112.622 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.48 -43.35 45.09 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.187 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -56.25 -32.71 64.74 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.326 0.584 . . . . 0.0 111.326 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.473 ' HB ' ' HG2' ' A' ' 11' ' ' PRO . 1.3 mp -86.4 -43.62 16.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.891 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -55.98 -51.2 68.55 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.416 178.798 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.63 -44.95 81.73 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.04 0.448 . . . . 0.0 110.358 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.69 -54.37 36.6 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.039 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.5 mt -53.35 -47.64 69.2 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.261 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -55.51 -42.91 75.14 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.86 179.048 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.73 -46.29 38.47 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.911 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.55 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 27.9 mm -53.8 -58.1 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.08 -51.1 59.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.7 mtpt -44.92 -61.47 1.6 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.103 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.29 90.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.4 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -62.59 -47.43 83.82 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.985 179.778 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.59 -33.12 75.16 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.269 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 26.0 mt -64.89 -44.02 91.02 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.19 0.519 . . . . 0.0 110.973 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.84 -39.71 26.08 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.252 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.85 -33.7 73.46 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.99 0.424 . . . . 0.0 110.075 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -104.4 29.64 5.92 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.381 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.52 -49.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.008 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.98 -15.99 34.97 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.946 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.71 -41.32 7.74 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -63.39 -43.01 98.79 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.04 -16.48 63.95 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -99.72 -53.29 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.206 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.5 mt -53.97 -23.01 11.66 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.01 0.23 51.41 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.63 35.84 0.5 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -142.28 -66.31 0.4 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.741 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 pt . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.524 -0.75 . . . . 0.0 112.636 -179.838 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 111.126 0.047 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 75.63 137.25 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.378 0.424 . . . . 0.0 111.201 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.7 mt 66.97 171.28 0.25 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.744 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.89 34.23 19.64 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.691 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.19 51.05 1.82 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.028 0.442 . . . . 0.0 111.201 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.422 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -142.39 86.5 1.96 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 121.095 0.474 . . . . 0.0 110.405 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.3 t -56.4 106.63 0.7 Allowed Pre-proline 0 N--CA 1.469 0.478 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.507 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.526 ' HG2' ' HB ' ' A' ' 14' ' ' ILE . 89.8 Cg_endo -87.08 157.44 8.46 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.872 2.382 . . . . 0.0 113.301 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -45.56 68.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.406 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -53.44 -43.29 67.92 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.464 0.649 . . . . 0.0 111.289 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.526 ' HB ' ' HG2' ' A' ' 11' ' ' PRO . 1.1 mp -73.74 -46.61 46.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.321 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -50.56 67.99 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.309 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -47.38 78.66 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.062 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.9 mt -59.51 -54.43 46.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.259 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.9 mt -54.45 -47.5 72.82 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.198 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -44.46 74.4 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.171 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.53 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -71.21 -41.73 69.87 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.922 179.355 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.558 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 64.4 mt -54.39 -59.06 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.05 -42.37 69.16 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.53 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 7.0 mtpt -49.53 -64.12 0.9 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.314 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.35 -40.67 81.43 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -59.12 -34.75 72.39 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 111.387 0.143 . . . . 0.0 111.387 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -92.05 -42.72 9.8 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.48 -179.68 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 22.7 mt -45.44 -54.77 6.92 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.474 0.654 . . . . 0.0 110.901 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -40.32 65.8 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.782 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.9 -22.47 65.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.694 0.283 . . . . 0.0 111.453 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -104.8 -33.88 8.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -178.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.0 -22.78 18.33 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -110.35 -26.19 9.69 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.09 -20.3 24.49 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.617 -0.433 . . . . 0.0 112.152 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 38' ' ' MET . 24.7 p-10 -63.54 -49.43 73.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.678 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.41 -12.34 60.48 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.828 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.05 -52.4 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.2 -14.2 61.3 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -57.07 -22.26 37.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 111.91 179.566 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.69 41.77 3.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.55 -40.4 63.98 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.834 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.0 tt . . . . . 0 C--O 1.252 1.228 0 CA-C-O 118.346 -0.835 . . . . 0.0 111.325 -179.629 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.8 t80 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 120.273 0.082 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 49.04 74.04 0.2 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.896 0.379 . . . . 0.0 112.005 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.48 116.3 12.27 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.3 p -92.95 -5.03 51.67 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 55.84 41.68 29.84 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.682 0.277 . . . . 0.0 111.379 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.431 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 25.5 t0 45.77 79.5 0.05 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.195 0.521 . . . . 0.0 111.558 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.4 ' CG1' HG22 ' A' ' 14' ' ' ILE . 44.6 t -64.46 108.76 2.13 Favored Pre-proline 0 N--CA 1.467 0.411 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.751 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 9' ' ' ASP . 89.4 Cg_endo -80.45 158.15 22.42 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.865 2.377 . . . . 0.0 113.03 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.58 -45.62 57.38 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.599 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -55.16 -32.79 62.4 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.235 0.541 . . . . 0.0 111.658 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.4 HG22 ' CG1' ' A' ' 10' ' ' VAL . 4.9 mt -87.99 -46.32 15.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.01 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -51.53 46.74 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.466 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -56.19 -46.38 79.44 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.008 0.432 . . . . 0.0 110.16 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.6 mt -60.48 -53.78 53.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.101 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.8 mt -54.87 -48.35 73.06 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.239 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.483 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -56.84 -42.29 79.43 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.442 178.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -46.04 63.13 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.557 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.485 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 69.3 mt -53.96 -59.34 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.38 -34.72 69.14 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.993 0.425 . . . . 0.0 110.347 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -64.55 -46.88 80.93 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.495 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.05 -39.29 26.01 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -62.46 -40.76 97.68 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.425 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -67.5 -42.35 83.01 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.454 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.59 -52.38 65.64 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.545 0.688 . . . . 0.0 110.509 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -45.44 88.32 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.867 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.86 -31.13 69.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.619 0.247 . . . . 0.0 111.333 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.4 -39.21 19.31 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.87 -41.72 20.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.14 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.16 -11.82 59.71 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.04 -39.92 5.83 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 38' ' ' MET . 12.5 p-10 -59.89 -40.57 89.17 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.403 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.49 0.36 42.82 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.18 -52.28 2.68 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mp -67.01 -16.0 64.09 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 1.5 ttt -62.87 -15.54 55.15 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.22 45.41 2.77 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 120.919 0.39 . . . . 0.0 111.345 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -106.14 -46.73 4.0 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.948 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.0 tt . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.516 -0.754 . . . . 0.0 111.382 -179.443 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 120.454 0.169 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 t -165.74 134.67 3.23 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.737 0.303 . . . . 0.0 110.811 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pp -124.87 146.29 49.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.136 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -169.88 63.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.778 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mt 63.06 36.51 12.27 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.466 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.99 57.06 3.34 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.642 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 10' ' ' VAL . 14.9 p 40.72 58.29 8.13 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.572 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 14' ' ' ILE . 72.8 Cg_endo -73.93 165.54 31.86 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.484 2.123 . . . . 0.0 112.64 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -46.63 46.49 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.672 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -59.62 -21.61 60.66 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.869 0.366 . . . . 0.0 111.93 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.403 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 1.2 mp -97.54 -48.49 12.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.201 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.67 -52.04 61.25 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -56.8 -41.47 77.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.162 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.403 ' O ' HG12 ' A' ' 21' ' ' ILE . 23.7 mt -65.21 -54.23 32.59 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.281 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.9 mt -51.48 -50.36 60.01 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.57 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.468 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.7 t80 -56.78 -42.28 79.16 Favored 'General case' 0 N--CA 1.461 0.081 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.446 178.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.15 -48.55 62.02 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.311 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 31.7 mm -53.71 -55.4 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -55.06 -47.33 74.97 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -50.88 -56.4 12.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.962 178.714 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.32 -43.37 77.71 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.683 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -59.32 -47.3 85.92 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.802 0.334 . . . . 0.0 110.551 179.483 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.49 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -59.66 -41.05 89.73 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.463 179.298 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.36 -47.95 80.28 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.201 0.524 . . . . 0.0 110.788 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -41.29 55.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.732 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.31 -35.07 76.36 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.022 0.439 . . . . 0.0 110.38 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -105.16 31.85 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.56 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.1 -48.05 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.14 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 36' ' ' HIS . . . -91.69 -6.11 52.59 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.298 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.45 -33.95 6.91 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -86.45 -53.72 4.83 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.761 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.61 -19.77 64.46 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 32' ' ' ALA . 2.1 t-80 -62.18 -41.62 98.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.865 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 pp -87.16 -36.55 17.99 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.982 0.42 . . . . 0.0 111.17 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.5 tpp -61.89 -34.03 75.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.48 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.35 15.36 19.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.767 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -112.89 -55.58 2.51 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.086 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.3 mm . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.407 -179.84 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 p90 . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 120.363 0.125 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.29 -155.38 0.49 Allowed 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 175.28 88.8 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.972 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.4 t -172.02 66.45 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.786 0.327 . . . . 0.0 111.46 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 mp 53.85 41.29 32.1 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.937 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.9 t0 40.63 82.07 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.68 0.752 . . . . 0.0 112.413 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.4 t -134.54 76.31 61.57 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.589 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.454 ' HG2' ' HB ' ' A' ' 14' ' ' ILE . 37.6 Cg_endo -65.8 162.9 32.76 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.612 2.208 . . . . 0.0 112.84 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -42.19 62.37 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.247 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.83 -6.72 40.1 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.454 ' HB ' ' HG2' ' A' ' 11' ' ' PRO . 0.9 OUTLIER -104.82 -47.18 9.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.538 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -50.52 68.42 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.622 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 17' ' ' LEU . 44.3 p-10 -57.34 -44.01 83.91 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.499 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 39.5 mt -66.08 -52.72 46.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.251 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.9 mt -53.63 -49.87 66.95 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.855 0.36 . . . . 0.0 110.336 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.404 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -55.76 -42.36 75.33 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.641 178.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.1 -46.53 50.78 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.604 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.527 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 24.0 mm -52.04 -56.56 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -54.26 -46.53 72.66 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.5 tttm -50.01 -59.1 4.21 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.896 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.95 -42.55 80.79 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.026 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -60.58 -45.22 94.75 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.789 0.328 . . . . 0.0 110.616 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.523 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -61.04 -41.52 96.73 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.042 178.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.78 -65.95 0.58 Allowed 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.256 0.55 . . . . 0.0 111.006 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -34.7 59.99 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.048 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.76 -49.67 29.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.819 0.342 . . . . 0.0 110.359 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -72.74 -36.36 67.72 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.133 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.22 -50.75 44.45 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.28 -44.55 75.28 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.283 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.35 -10.18 57.8 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 30' ' ' GLN . 1.1 t30 -58.18 -51.04 71.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.204 0.526 . . . . 0.0 110.135 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.14 -1.57 36.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.41 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 37.7 t60 71.91 -47.45 0.66 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.254 0.622 . . . . 0.0 111.37 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -100.34 15.86 26.33 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.567 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -19.43 63.85 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.906 0.384 . . . . 0.0 111.546 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.73 38.19 3.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.954 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.428 ' HB3' HD13 ' A' ' 41' ' ' ILE . 3.3 tp60 -87.33 -41.91 13.28 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.793 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.428 HD13 ' HB3' ' A' ' 40' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.02 -0.99 . . . . 0.0 111.337 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.7 t80 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.331 0.11 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 57.2 m 71.84 97.44 0.07 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.435 0.459 . . . . 0.0 111.08 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' THR . 3.0 mp 69.12 170.11 0.3 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.775 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.92 21.72 12.73 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.362 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -106.59 36.71 2.53 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.414 0.626 . . . . 0.0 110.688 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.04 58.89 1.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.109 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.439 HG11 ' O ' ' A' ' 10' ' ' VAL . 14.6 p 42.39 58.3 10.67 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.115 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.9 166.32 29.9 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.7 2.267 . . . . 0.0 113.241 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -46.84 48.84 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.446 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -52.9 -52.48 57.5 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.575 0.702 . . . . 0.0 110.577 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.27 -49.12 85.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.33 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -50.3 69.05 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.41 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -58.03 -46.37 85.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.015 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.46 -50.7 71.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.191 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.6 mt -55.27 -47.61 75.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.458 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -44.25 75.36 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.326 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -44.11 70.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 16.9 mm -55.37 -56.93 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.08 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.16 -37.23 61.68 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.039 0.447 . . . . 0.0 109.932 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.4 tmtt? -61.27 -55.55 30.66 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.035 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.13 -36.8 66.76 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.718 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -61.55 -44.19 97.49 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.784 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -69.12 -42.96 75.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.929 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 76.0 mt -57.01 -49.45 75.75 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.458 0.646 . . . . 0.0 110.901 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -31.92 63.19 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.669 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.05 -48.92 64.31 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -25.96 66.23 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.361 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.03 -56.78 3.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.322 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.98 -30.64 71.75 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.353 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.62 -54.77 6.81 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.158 0.504 . . . . 0.0 111.828 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.05 -40.08 95.5 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.904 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.25 41.92 1.08 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.789 0.328 . . . . 0.0 111.69 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -104.3 -70.74 0.76 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.426 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mt -103.66 2.72 33.53 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.78 -3.04 58.8 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -143.06 43.44 1.56 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.97 0.414 . . . . 0.0 111.647 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -107.75 -50.78 3.0 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.694 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.131 -179.899 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.3 p90 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 120.197 0.046 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.7 m 61.92 76.74 0.36 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.697 0.284 . . . . 0.0 111.064 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 77.33 139.85 0.07 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.647 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.3 p -142.03 42.17 1.67 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.537 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 51.07 57.97 6.07 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.975 0.417 . . . . 0.0 111.933 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -146.57 88.83 1.79 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.501 0.667 . . . . 0.0 110.912 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.0 t -112.08 81.82 3.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.751 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HB2' ' OD1' ' A' ' 13' ' ' ASN . 92.2 Cg_endo -80.47 161.83 22.28 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.732 2.288 . . . . 0.0 113.534 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -38.69 65.22 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.56 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.436 ' OD1' ' HB2' ' A' ' 11' ' ' PRO . 6.0 p-10 -67.94 -10.19 51.33 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -100.75 -44.74 11.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -54.0 41.51 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -59.46 -44.69 92.92 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.267 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.8 mt -59.77 -50.82 72.32 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.044 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.0 mt -57.0 -48.03 79.42 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -56.88 -43.98 81.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.972 178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -45.18 70.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.492 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.533 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 51.7 mt -53.96 -58.73 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.06 -36.48 60.66 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.995 0.426 . . . . 0.0 110.297 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -61.92 -54.37 42.87 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.409 179.349 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.45 -35.52 60.9 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.67 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -62.93 -42.72 99.89 Favored 'General case' 0 N--CA 1.458 -0.073 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.968 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -71.31 -36.35 71.58 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.917 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 85.7 mt -65.22 -49.06 71.13 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.376 0.607 . . . . 0.0 111.021 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.76 -36.58 73.16 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.974 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.38 -46.07 77.93 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.875 0.369 . . . . 0.0 110.204 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 2.4 pt20 -69.18 -32.71 72.2 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.392 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.19 -54.34 6.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.382 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' A' ' 36' ' ' HIS . . . -61.8 -18.13 58.77 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.009 179.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.34 -60.58 1.85 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.261 0.553 . . . . 0.0 111.822 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.23 -39.34 93.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.767 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.93 34.9 0.84 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.544 ' HB2' ' O ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -144.84 -71.48 0.27 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.339 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -62.69 -40.33 96.78 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.003 0.43 . . . . 0.0 111.687 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.0 ttt -63.4 -25.26 68.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.684 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.04 20.57 18.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.317 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.413 ' O ' ' CG2' ' A' ' 41' ' ' ILE . 2.5 tt0 -129.87 -57.77 1.1 Allowed 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.342 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.413 ' CG2' ' O ' ' A' ' 40' ' ' GLN . 1.9 tt . . . . . 0 C--O 1.252 1.193 0 O-C-N 123.717 0.636 . . . . 0.0 112.318 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.7 p90 . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 120.445 0.164 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 t -165.1 126.68 2.06 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.726 0.298 . . . . 0.0 111.192 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pp -168.37 145.92 4.09 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.1 t -157.82 57.66 0.48 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.842 0.353 . . . . 0.0 111.391 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.98 43.65 0.97 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.39 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -149.72 91.12 1.77 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.524 0.678 . . . . 0.0 110.822 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.6 t -139.76 62.07 21.22 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.95 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.48 ' HD2' ' HB ' ' A' ' 14' ' ' ILE . 57.9 Cg_endo -70.7 167.04 26.81 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.638 2.226 . . . . 0.0 112.689 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -48.79 -45.3 39.92 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.73 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -67.5 -17.07 64.53 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.48 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 1.4 mp -101.62 -48.08 11.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.119 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.464 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.08 -52.49 50.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.621 178.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -56.56 -44.69 81.2 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.92 0.39 . . . . 0.0 110.484 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.452 ' O ' HG12 ' A' ' 21' ' ' ILE . 45.8 mt -67.74 -54.53 18.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.657 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.0 tp -53.19 -48.39 68.09 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.746 0.308 . . . . 0.0 110.445 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 15' ' ' MET . 0.5 OUTLIER -57.54 -41.69 81.43 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.449 178.749 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.54 -47.5 60.04 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.368 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.544 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 35.1 mm -54.73 -55.7 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.52 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -53.97 -45.61 71.4 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -50.64 -61.79 1.99 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.047 178.712 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.34 93.34 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.812 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -61.2 -47.45 86.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.653 0.264 . . . . 0.0 110.636 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.52 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -58.97 -43.24 91.33 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.607 179.415 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -58.0 -54.26 48.97 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.135 0.493 . . . . 0.0 111.143 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -70.93 -38.39 72.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.812 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -64.63 -40.4 95.4 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 120.936 0.398 . . . . 0.0 110.449 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 11.7 mm-40 -93.97 12.72 25.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.744 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.38 -52.49 2.48 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.33 -23.94 24.45 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.748 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -109.23 6.01 24.28 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 9.4 t-20 -78.79 -62.91 1.54 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.786 0.327 . . . . 0.0 110.774 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.17 -3.88 53.15 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.333 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 70.41 -44.52 0.57 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.263 0.625 . . . . 0.0 112.029 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 pp -101.14 14.95 30.33 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -10.27 57.66 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -126.0 43.7 3.02 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.053 0.454 . . . . 0.0 110.793 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.66 34.52 3.62 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.687 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.3 tt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.034 -0.984 . . . . 0.0 111.2 179.798 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 t80 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 120.226 0.06 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.4 m 61.63 83.7 0.15 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.848 0.356 . . . . 0.0 111.432 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.461 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -122.16 132.95 54.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.941 0.401 . . . . 0.0 111.063 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.7 p -128.54 35.7 4.35 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.275 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.62 38.87 2.13 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.016 0.436 . . . . 0.0 111.011 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -169.35 99.7 0.34 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.396 0.617 . . . . 0.0 110.76 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.9 t -139.8 60.89 16.8 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.794 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.458 ' HG2' ' HB ' ' A' ' 14' ' ' ILE . 57.4 Cg_endo -71.14 162.41 42.68 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.621 2.214 . . . . 0.0 112.414 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.41 -47.59 26.5 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -62.71 -21.37 65.73 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.458 ' HB ' ' HG2' ' A' ' 11' ' ' PRO . 1.4 mt -99.85 -45.74 11.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.194 179.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -52.25 46.76 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.046 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 3.7 p30 -58.83 -43.39 90.66 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.775 0.321 . . . . 0.0 110.586 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.0 -48.16 74.96 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.37 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.5 mt -57.05 -50.19 73.5 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.336 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.536 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -58.82 -41.24 86.38 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.66 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -69.93 -48.47 58.34 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.54 179.581 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.527 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 16.9 mm -54.67 -57.54 6.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.42 -36.73 66.79 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.325 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 3.9 mmtt -63.12 -47.47 82.66 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.651 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.87 -34.99 29.77 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -65.69 -41.22 92.65 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.199 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -64.93 -39.21 93.16 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.538 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' HA ' ' NE2' ' A' ' 30' ' ' GLN . 30.1 mt -51.92 -57.37 9.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.334 0.588 . . . . 0.0 111.951 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 mtm105 -74.5 -30.85 61.98 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.962 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.59 -44.04 83.27 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.733 0.301 . . . . 0.0 110.592 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 27' ' ' LEU . 2.2 pt20 -80.14 -24.54 40.37 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.941 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.23 -52.22 7.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.521 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.74 90.72 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.007 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -55.62 28.27 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.191 0.52 . . . . 0.0 112.158 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.542 ' HA ' ' HB2' ' A' ' 38' ' ' MET . 0.3 OUTLIER -63.15 -43.47 98.22 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.934 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.07 40.08 0.93 Allowed 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -164.32 -57.4 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.643 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 pp -94.2 -36.08 12.19 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.04 0.448 . . . . 0.0 111.385 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.542 ' HB2' ' HA ' ' A' ' 34' ' ' ASN . 8.6 ttm -82.87 -14.74 53.69 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.543 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.39 23.45 8.43 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.485 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.418 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 8.6 tt0 -82.51 -48.23 11.27 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.021 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.418 ' HB ' ' O ' ' A' ' 40' ' ' GLN . 3.3 mt . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.665 -0.684 . . . . 0.0 111.416 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 111.275 0.102 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.4 p 48.04 52.75 12.64 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.922 0.392 . . . . 0.0 111.875 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.42 64.13 0.82 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.205 0.526 . . . . 0.0 111.184 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.0 t -149.46 54.68 0.96 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.283 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mt -134.93 40.35 2.92 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.302 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t0 51.33 90.8 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.433 0.635 . . . . 0.0 112.154 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.5 p -119.16 68.69 9.65 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-O 121.485 0.659 . . . . 0.0 111.408 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -62.68 155.75 57.15 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.87 2.38 . . . . 0.0 113.177 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -43.38 55.65 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.227 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -54.95 -49.24 71.84 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.627 0.727 . . . . 0.0 110.779 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -61.78 -49.02 85.98 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.121 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -48.21 77.25 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.092 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -56.85 -48.91 77.01 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.015 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.54 -50.51 72.37 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.16 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.4 tp -54.91 -47.8 73.9 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.078 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.3 t80 -52.59 -45.88 66.7 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.384 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -45.22 67.44 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.316 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.53 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 19.1 mm -54.81 -56.85 8.57 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.08 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.84 -37.3 68.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 110.198 178.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -64.1 -44.93 90.82 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.216 179.317 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.28 -37.93 27.67 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.636 0.255 . . . . 0.0 111.53 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -61.57 -44.2 97.45 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.122 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -67.84 -42.86 80.77 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.455 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.07 -57.33 12.14 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.299 0.571 . . . . 0.0 111.331 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -41.53 99.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.74 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.28 94.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.952 0.405 . . . . 0.0 109.911 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -73.3 -36.32 66.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.714 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.23 -51.01 16.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.834 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.47 -49.62 76.07 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.655 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.81 -48.14 82.87 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.232 0.539 . . . . 0.0 112.048 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -61.58 -43.61 98.55 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.245 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -103.02 48.7 0.85 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -162.02 -68.65 0.05 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -99.99 -16.39 17.95 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -17.34 59.17 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.53 36.57 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.0 0.428 . . . . 0.0 111.17 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -55.3 6.59 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.586 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.014 -0.993 . . . . 0.0 111.36 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 120.533 0.206 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -173.36 133.04 0.49 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.094 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 33.04 71.2 0.09 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.0 t -177.94 68.04 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.401 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 mt -142.02 39.47 1.63 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.937 0.399 . . . . 0.0 112.046 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER -75.47 55.59 0.82 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.982 0.42 . . . . 0.0 110.892 179.276 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 9' ' ' ASP . 95.5 t 15.61 67.17 0.18 Allowed Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 124.17 0.988 . . . . 0.0 113.183 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.454 ' HD2' ' HB ' ' A' ' 14' ' ' ILE . 69.3 Cg_endo -72.09 169.06 22.35 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.679 2.253 . . . . 0.0 111.929 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -45.57 -42.65 11.31 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.751 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -63.51 -25.01 68.06 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.07 0.462 . . . . 0.0 111.997 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.454 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 3.2 mt -101.09 -46.57 11.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.134 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.423 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.92 -49.16 66.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.472 178.794 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 12' ' ' THR . 5.6 t-20 -54.95 -47.33 74.64 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.952 0.406 . . . . 0.0 110.157 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.11 -50.83 62.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.198 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -49.49 72.53 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.309 178.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -58.17 -40.85 82.49 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 179.02 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -46.04 56.08 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 17.1 mm -53.98 -61.5 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.88 -36.77 59.68 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.049 0.452 . . . . 0.0 109.972 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.47 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.1 mtpt -58.94 -58.49 8.41 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.131 179.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.84 -36.1 67.39 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -64.03 -43.1 96.61 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.829 -0.169 . . . . 0.0 111.192 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -69.22 -42.3 75.9 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.745 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 66.4 mt -58.25 -55.69 31.66 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.35 0.595 . . . . 0.0 110.512 178.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -39.47 88.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.221 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.93 -44.32 77.11 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.902 0.382 . . . . 0.0 110.182 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.469 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 9.7 mm100 -74.22 -24.14 59.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.925 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.26 -50.77 5.93 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.981 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.08 -22.63 45.01 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.71 -16.77 12.25 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.469 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -115.75 -58.68 2.09 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.68 -16.84 62.26 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.86 -29.46 55.45 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 pp -99.95 7.94 44.44 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.26 -5.03 23.51 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.85 52.06 0.5 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 111.336 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.33 -68.56 0.61 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.224 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.832 -0.604 . . . . 0.0 111.879 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.9 p90 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 120.451 0.167 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.7 p -109.23 -149.0 0.43 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.356 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 151.18 36.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.02 0.438 . . . . 0.0 111.358 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.5 t -168.27 53.01 0.05 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.317 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.0 mt -133.43 49.57 2.28 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.71 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -149.36 88.19 1.56 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.296 0.569 . . . . 0.0 110.92 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.482 HG11 HG22 ' A' ' 14' ' ' ILE . 66.8 t -117.15 73.14 6.79 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.769 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -67.55 163.61 34.24 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.739 2.292 . . . . 0.0 112.54 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -45.32 -45.02 12.06 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.512 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -56.97 -53.63 55.86 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.74 0.781 . . . . 0.0 110.692 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.482 HG22 HG11 ' A' ' 10' ' ' VAL . 2.8 mt -66.18 -44.09 91.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 114.244 -1.344 . . . . 0.0 110.361 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -49.63 68.13 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.669 0.271 . . . . 0.0 110.399 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.35 -51.24 70.64 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.438 ' CG ' ' HA ' ' A' ' 14' ' ' ILE . 3.0 pp -67.35 -43.86 80.44 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.034 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.489 ' HA ' ' HB ' ' A' ' 21' ' ' ILE . 15.1 tp -55.85 -45.54 78.43 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -48.87 -48.97 41.62 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.827 178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.64 -44.59 56.53 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.948 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 10.9 mm -48.92 -56.7 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.05 -38.36 73.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.013 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -62.81 -46.66 86.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.009 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.81 -37.84 39.73 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.688 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -61.68 -44.31 97.19 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.289 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -64.97 -41.25 95.62 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.622 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HA ' ' HG2' ' A' ' 30' ' ' GLN . 81.9 mt -59.05 -56.06 27.08 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.501 0.667 . . . . 0.0 110.747 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -40.25 82.81 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.154 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.63 -44.87 66.3 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.024 0.44 . . . . 0.0 110.706 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.598 ' HA ' ' HB3' ' A' ' 34' ' ' ASN . 7.5 pt20 -73.15 -16.61 61.44 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.77 -50.51 3.67 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.849 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.87 -18.22 54.31 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.12 -45.29 3.07 Favored 'General case' 0 C--N 1.342 0.25 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.598 ' HB3' ' HA ' ' A' ' 30' ' ' GLN . 1.1 t30 -80.76 -49.96 10.48 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.659 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.3 36.93 0.71 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.752 0.31 . . . . 0.0 111.586 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -152.45 -60.43 0.15 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.901 179.414 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.1 mt -58.32 -26.66 63.32 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.889 0.376 . . . . 0.0 111.305 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.42 ' O ' ' CB ' ' A' ' 39' ' ' ALA . 4.5 ttm -82.0 -0.32 43.66 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.717 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 38' ' ' MET . . . 85.85 57.92 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 122.96 0.504 . . . . 0.0 111.826 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.511 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -114.59 -64.33 1.33 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.591 179.357 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.511 ' HB ' ' O ' ' A' ' 40' ' ' GLN . 3.9 mp . . . . . 0 C--O 1.253 1.249 0 CA-C-O 117.845 -1.074 . . . . 0.0 112.024 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.4 p90 . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 120.307 0.098 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p 45.66 46.15 11.27 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.938 0.399 . . . . 0.0 111.671 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.9 mt -84.15 60.92 6.2 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.967 0.413 . . . . 0.0 111.217 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.19 39.95 28.44 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.646 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mt -134.51 38.02 3.1 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.098 0.475 . . . . 0.0 111.187 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -95.44 61.5 2.34 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.035 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 10' ' ' VAL . 13.6 p 41.02 57.49 8.56 Favored Pre-proline 0 N--CA 1.473 0.687 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.702 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 14' ' ' ILE . 72.1 Cg_endo -74.7 165.6 31.18 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.601 2.201 . . . . 0.0 112.761 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -37.55 52.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.63 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -72.39 -6.27 42.26 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.472 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 3.6 mt -112.47 -45.54 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -47.43 65.89 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.367 178.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 17' ' ' LEU . 39.3 p-10 -59.92 -46.73 88.42 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.206 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 54.3 mt -59.93 -51.35 70.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.092 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 mt -54.5 -51.13 66.07 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.268 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.7 t80 -56.41 -42.33 77.81 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.148 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -68.92 -47.4 65.85 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.25 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.491 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 13.3 mm -53.21 -57.31 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.66 -36.85 65.03 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.017 0.437 . . . . 0.0 110.155 177.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -63.61 -43.98 95.3 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.67 179.47 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.08 -37.58 21.88 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.141 0.275 . . . . 0.0 111.123 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -57.77 -44.42 86.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.276 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -76.05 -41.0 52.09 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -61.72 -16.67 51.19 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.804 178.726 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.09 -46.46 3.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.643 0.259 . . . . 0.0 110.711 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.16 -26.23 58.93 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.554 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 1.2 tp60 -112.51 -23.74 10.1 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.83 -29.11 13.92 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.444 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.44 -26.5 11.42 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.57 -6.68 39.8 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.554 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 2.0 p30 -74.93 -39.6 61.29 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.167 -0.333 . . . . 0.0 111.645 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.79 -16.76 49.89 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -49.22 -40.97 35.73 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mt -100.59 9.25 42.77 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.76 -31.86 6.82 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.808 0.337 . . . . 0.0 111.848 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.03 21.25 6.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.932 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.41 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 2.2 tt0 -88.93 -59.34 2.25 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.825 -0.171 . . . . 0.0 111.162 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' A' ' 40' ' ' GLN . 2.9 mt . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.06 -0.971 . . . . 0.0 111.759 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.562 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -66.88 -23.48 66.01 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.021 0.438 . . . . 0.0 111.794 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mt -97.35 -45.78 12.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.23 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.503 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -51.1 -53.39 34.58 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.54 179.091 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -55.61 -46.63 77.31 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.874 0.369 . . . . 0.0 110.498 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.42 -52.34 61.95 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.024 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -47.88 77.49 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.879 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.503 ' HB2' ' O ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -57.38 -41.66 80.65 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.587 178.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.97 -47.05 61.08 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.403 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.511 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 12.4 mm -54.62 -57.92 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.53 -36.92 64.79 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.994 0.426 . . . . 0.0 110.155 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.3 tmtt? -61.75 -57.56 11.43 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.973 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -36.18 73.67 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -65.73 -45.53 82.33 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 121.377 -0.129 . . . . 0.0 111.056 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -68.74 -39.89 80.11 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.151 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 32.3 mt -54.61 -55.27 31.2 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.475 0.655 . . . . 0.0 110.402 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -28.01 66.36 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.609 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.47 -49.63 52.99 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 120.882 0.372 . . . . 0.0 110.317 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.415 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.813 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.468 0.443 0 CA-C-O 120.634 0.254 . . . . 0.0 111.439 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -51.64 -38.7 55.97 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.487 0.66 . . . . 0.0 111.343 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.422 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -82.55 -46.25 19.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.215 179.01 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.522 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.61 -47.82 66.71 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.226 178.818 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -54.67 -51.79 64.38 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.181 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.9 pp -70.31 -44.06 69.07 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.642 ' N ' HD12 ' A' ' 17' ' ' LEU . 14.2 tp -58.2 -49.06 78.36 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.403 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 15' ' ' MET . 1.2 t80 -56.67 -41.8 77.89 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.691 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -47.8 31.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.098 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 26.0 mt -51.49 -59.76 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.83 -37.82 66.63 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.397 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -60.45 -51.14 70.74 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.391 179.479 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.586 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -77.45 -36.5 52.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.475 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -63.61 -45.28 91.04 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.274 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -65.18 -39.96 93.62 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 24' ' ' ALA . 44.6 mt -53.12 -55.17 26.07 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.333 0.587 . . . . 0.0 111.219 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.65 -28.15 65.64 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.861 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.27 -50.98 34.03 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 120.981 0.42 . . . . 0.0 109.926 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.253 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.642 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 120.543 0.211 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -53.8 -27.63 30.42 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.821 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -90.5 -46.21 14.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.094 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -50.86 69.71 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.552 179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -55.71 -41.67 74.15 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.323 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.7 mt -69.03 -54.22 16.34 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.138 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 21' ' ' ILE . 48.3 mt -52.55 -47.13 66.97 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.655 179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -56.39 -43.07 78.92 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.565 178.839 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.93 -45.58 41.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.926 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.569 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 35.2 mt -49.08 -61.12 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.43 ' O ' ' ND2' ' A' ' 26' ' ' ASN . . . -54.11 -39.61 66.54 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -56.87 -55.28 36.42 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.3 179.048 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.472 ' HA ' HD23 ' A' ' 27' ' ' LEU . . . -74.97 -36.57 62.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.252 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -56.46 -45.4 80.89 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.303 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 22' ' ' ALA . 7.3 p30 -75.28 -42.39 54.99 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.127 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -56.79 -52.93 63.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.003 0.43 . . . . 0.0 111.377 178.907 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -66.1 -37.65 86.28 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.276 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.07 -42.1 73.24 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.23 0.538 . . . . 0.0 110.696 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--N 1.321 -0.653 0 C-N-CA 120.233 -0.587 . . . . 0.0 112.091 -179.841 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.351 0 CA-C-O 120.533 0.206 . . . . 0.0 111.392 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -57.08 -53.94 52.39 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.59 0.709 . . . . 0.0 110.859 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mt -62.14 -47.73 91.78 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 114.694 -1.139 . . . . 0.0 110.691 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -52.75 58.97 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.703 0.287 . . . . 0.0 110.266 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -57.49 -46.69 83.44 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.504 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.84 -51.68 63.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.763 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 18' ' ' LEU . 21.5 mt -56.25 -46.88 79.45 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.631 0.253 . . . . 0.0 110.376 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.475 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -56.13 -43.87 78.61 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.331 178.653 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -45.28 72.5 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.351 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.565 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 14.5 mm -55.48 -59.24 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.67 -35.53 61.16 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.948 0.404 . . . . 0.0 110.46 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.12 -51.93 53.27 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.126 179.299 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.25 -35.69 61.37 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -63.0 -45.23 93.37 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.908 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -69.31 -42.51 75.32 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.302 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 42.9 mt -55.3 -55.66 28.94 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.423 0.63 . . . . 0.0 110.794 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -42.79 95.26 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.705 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.74 -45.44 82.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.025 0.44 . . . . 0.0 109.975 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.819 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.266 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -71.66 -11.66 60.95 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.869 ' HA ' HD23 ' A' ' 17' ' ' LEU . 1.4 mp -105.23 -47.24 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.152 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.454 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.13 -50.55 61.48 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.64 179.233 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 17' ' ' LEU . 47.8 p-10 -61.3 -48.03 83.23 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.988 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.869 HD23 ' HA ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -62.77 -45.14 94.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.227 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.555 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 18.5 tp -61.8 -49.68 75.36 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 178.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.47 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -58.79 -40.03 82.8 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.97 179.042 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -45.99 55.59 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.81 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 7.9 mm -56.77 -57.4 9.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.97 -36.45 62.9 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.976 0.417 . . . . 0.0 109.976 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -57.45 -63.12 1.34 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.931 178.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.85 77.8 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -62.72 -41.75 99.31 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.862 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -75.98 -45.78 33.05 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.473 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 18.8 mt -55.31 -39.47 69.96 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -81.51 -45.22 16.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.04 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.34 95.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.974 0.416 . . . . 0.0 110.31 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 26' ' ' ASN . 1.3 tt0 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.824 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -53.12 -34.92 58.83 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.504 0.668 . . . . 0.0 111.302 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.8 ' HA ' HD23 ' A' ' 17' ' ' LEU . 1.1 mp -84.03 -49.61 16.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.065 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -46.84 71.15 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.475 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -57.59 -48.32 79.7 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.643 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.8 HD23 ' HA ' ' A' ' 14' ' ' ILE . 0.3 OUTLIER -67.21 -42.37 84.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.34 179.123 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.511 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 49.1 mt -60.77 -46.74 89.32 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.65 0.262 . . . . 0.0 110.307 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.498 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.5 t80 -55.79 -43.83 77.18 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.017 179.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.56 -45.97 34.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.1 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.574 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 9.4 mm -51.22 -59.01 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.33 66.99 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.135 0.493 . . . . 0.0 109.936 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' A' ' 27' ' ' LEU . 1.3 tppt? -58.06 -61.63 2.41 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.823 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.715 ' HA ' HD23 ' A' ' 27' ' ' LEU . . . -68.94 -37.54 78.94 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -60.9 -46.08 92.04 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.486 0.184 . . . . 0.0 110.673 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -43.04 66.05 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.059 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.715 HD23 ' HA ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -59.51 -53.8 53.88 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.021 0.438 . . . . 0.0 111.754 179.326 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.487 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -67.79 -41.28 83.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.724 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.76 92.62 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.723 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -57.33 -29.61 64.12 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.162 0.506 . . . . 0.0 111.779 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -89.55 -48.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.317 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -49.67 68.85 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.367 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -57.34 -46.06 83.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.957 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.88 -54.48 44.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.934 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.0 mt -52.25 -47.01 66.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.38 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -44.59 68.32 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.506 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.447 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -74.76 -43.9 52.48 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.174 179.003 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.566 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 21.4 mm -48.83 -59.37 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.89 -48.02 70.52 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -49.98 -51.37 42.09 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.27 178.613 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.468 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -77.56 -37.73 50.05 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.453 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -58.77 -43.46 90.4 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.429 179.338 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -37.63 83.19 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.412 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 24' ' ' ALA . 23.7 mt -59.67 -60.29 4.07 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.265 0.555 . . . . 0.0 111.145 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -41.24 90.81 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.654 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.98 85.38 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.576 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.044 179.193 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 120.601 0.239 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -56.25 -32.71 64.74 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.326 0.584 . . . . 0.0 111.326 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -86.4 -43.62 16.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.891 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -55.98 -51.2 68.55 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.416 178.798 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.63 -44.95 81.73 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.04 0.448 . . . . 0.0 110.358 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.69 -54.37 36.6 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.039 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.5 mt -53.35 -47.64 69.2 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.261 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 15' ' ' MET . 0.1 OUTLIER -55.51 -42.91 75.14 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.86 179.048 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.422 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -74.73 -46.29 38.47 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.911 179.698 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.553 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 27.9 mm -53.8 -58.1 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.08 -51.1 59.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 2.7 mtpt -44.92 -61.47 1.6 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.103 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.583 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -65.84 -39.29 90.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.4 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -62.59 -47.43 83.82 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.985 179.778 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.59 -33.12 75.16 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.269 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 24' ' ' ALA . 26.0 mt -64.89 -44.02 91.02 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.19 0.519 . . . . 0.0 110.973 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.84 -39.71 26.08 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.252 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.85 -33.7 73.46 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.99 0.424 . . . . 0.0 110.075 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 . . . . . 0 CA--C 1.532 0.27 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.381 179.085 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.349 0 CA-C-O 120.439 0.161 . . . . 0.0 111.406 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -53.44 -43.29 67.92 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.464 0.649 . . . . 0.0 111.289 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 mp -73.74 -46.61 46.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.321 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -50.56 67.99 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.309 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -47.38 78.66 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.062 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.9 mt -59.51 -54.43 46.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.259 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HA ' HD12 ' A' ' 21' ' ' ILE . 80.9 mt -54.45 -47.5 72.82 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.198 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -44.46 74.4 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.171 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.56 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -71.21 -41.73 69.87 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.922 179.355 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.571 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 64.4 mt -54.39 -59.06 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.05 -42.37 69.16 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 7.0 mtpt -49.53 -64.12 0.9 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.314 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.35 -40.67 81.43 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -59.12 -34.75 72.39 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 111.387 0.143 . . . . 0.0 111.387 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -92.05 -42.72 9.8 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.48 -179.68 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 22.7 mt -45.44 -54.77 6.92 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.474 0.654 . . . . 0.0 110.901 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -40.32 65.8 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.782 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.9 -22.47 65.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.694 0.283 . . . . 0.0 111.453 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -178.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.482 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -55.16 -32.79 62.4 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.235 0.541 . . . . 0.0 111.658 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 mt -87.99 -46.32 15.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.01 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -51.53 46.74 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.466 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -56.19 -46.38 79.44 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.008 0.432 . . . . 0.0 110.16 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.6 mt -60.48 -53.78 53.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.101 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.8 mt -54.87 -48.35 73.06 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.239 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.472 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -56.84 -42.29 79.43 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.442 178.879 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -46.04 63.13 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.557 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.494 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 69.3 mt -53.96 -59.34 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.38 -34.72 69.14 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.993 0.425 . . . . 0.0 110.347 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -64.55 -46.88 80.93 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.495 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.05 -39.29 26.01 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -62.46 -40.76 97.68 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.425 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -67.5 -42.35 83.01 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.454 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.59 -52.38 65.64 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.545 0.688 . . . . 0.0 110.509 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -45.44 88.32 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.867 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.86 -31.13 69.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.619 0.247 . . . . 0.0 111.333 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -59.62 -21.61 60.66 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.869 0.366 . . . . 0.0 111.93 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 mp -97.54 -48.49 12.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.201 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.67 -52.04 61.25 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -56.8 -41.47 77.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.162 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.418 ' O ' HG12 ' A' ' 21' ' ' ILE . 23.7 mt -65.21 -54.23 32.59 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.281 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.9 mt -51.48 -50.36 60.01 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.57 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.7 t80 -56.78 -42.28 79.16 Favored 'General case' 0 N--CA 1.461 0.081 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.446 178.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.15 -48.55 62.02 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.311 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.542 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 31.7 mm -53.71 -55.4 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.501 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -55.06 -47.33 74.97 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -50.88 -56.4 12.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.962 178.714 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.673 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -68.32 -43.37 77.71 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.683 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -59.32 -47.3 85.92 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.802 0.334 . . . . 0.0 110.551 179.483 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.501 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -59.66 -41.05 89.73 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.463 179.298 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 24' ' ' ALA . 19.9 mt -57.36 -47.95 80.28 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.201 0.524 . . . . 0.0 110.788 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -41.29 55.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.732 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.31 -35.07 76.36 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.022 0.439 . . . . 0.0 110.38 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.56 179.472 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.308 0 CA-C-O 120.292 0.092 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.83 -6.72 40.1 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -104.82 -47.18 9.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -50.52 68.42 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.622 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 17' ' ' LEU . 44.3 p-10 -57.34 -44.01 83.91 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.499 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 39.5 mt -66.08 -52.72 46.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.251 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.9 mt -53.63 -49.87 66.95 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.855 0.36 . . . . 0.0 110.336 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -55.76 -42.36 75.33 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.641 178.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.409 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -73.1 -46.53 50.78 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.604 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.532 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 24.0 mm -52.04 -56.56 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -54.26 -46.53 72.66 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 2.5 tttm -50.01 -59.1 4.21 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.896 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.95 -42.55 80.79 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.026 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -60.58 -45.22 94.75 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.789 0.328 . . . . 0.0 110.616 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.534 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -61.04 -41.52 96.73 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.042 178.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.78 -65.95 0.58 Allowed 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.256 0.55 . . . . 0.0 111.006 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -34.7 59.99 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.048 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.76 -49.67 29.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.819 0.342 . . . . 0.0 110.359 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.224 -0.246 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.133 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 111.446 0.165 . . . . 0.0 111.446 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -52.9 -52.48 57.5 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.575 0.702 . . . . 0.0 110.577 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.27 -49.12 85.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.33 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -50.3 69.05 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.41 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -58.03 -46.37 85.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.015 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.46 -50.7 71.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.191 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.6 mt -55.27 -47.61 75.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.458 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -44.25 75.36 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.326 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -44.11 70.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 16.9 mm -55.37 -56.93 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.08 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.16 -37.23 61.68 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.039 0.447 . . . . 0.0 109.932 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.4 tmtt? -61.27 -55.55 30.66 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.035 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.13 -36.8 66.76 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.718 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -61.55 -44.19 97.49 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.784 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -69.12 -42.96 75.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.929 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 76.0 mt -57.01 -49.45 75.75 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.458 0.646 . . . . 0.0 110.901 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -31.92 63.19 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.669 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.05 -48.92 64.31 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.28 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.361 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.425 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -67.94 -10.19 51.33 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -100.75 -44.74 11.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -54.0 41.51 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -59.46 -44.69 92.92 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.267 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' A' ' 17' ' ' LEU . 17.8 mt -59.77 -50.82 72.32 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.044 178.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.0 mt -57.0 -48.03 79.42 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -56.88 -43.98 81.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.972 178.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -45.18 70.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.492 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 51.7 mt -53.96 -58.73 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.06 -36.48 60.66 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.995 0.426 . . . . 0.0 110.297 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -61.92 -54.37 42.87 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.409 179.349 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.45 -35.52 60.9 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.67 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -62.93 -42.72 99.89 Favored 'General case' 0 N--CA 1.458 -0.073 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.968 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -71.31 -36.35 71.58 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.917 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.448 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 85.7 mt -65.22 -49.06 71.13 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.376 0.607 . . . . 0.0 111.021 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.76 -36.58 73.16 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.974 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.38 -46.07 77.93 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.875 0.369 . . . . 0.0 110.204 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 2.4 pt20 . . . . . 0 C--O 1.234 0.273 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.392 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -67.5 -17.07 64.53 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -101.62 -48.08 11.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.119 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.484 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.08 -52.49 50.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.621 178.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -56.56 -44.69 81.2 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.92 0.39 . . . . 0.0 110.484 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.466 ' O ' HG12 ' A' ' 21' ' ' ILE . 45.8 mt -67.74 -54.53 18.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.657 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.0 tp -53.19 -48.39 68.09 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.746 0.308 . . . . 0.0 110.445 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 15' ' ' MET . 0.5 OUTLIER -57.54 -41.69 81.43 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.449 178.749 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.54 -47.5 60.04 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.368 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.553 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 35.1 mm -54.73 -55.7 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.532 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -53.97 -45.61 71.4 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -50.64 -61.79 1.99 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.047 178.712 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.617 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -65.5 -41.34 93.34 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.812 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -61.2 -47.45 86.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.653 0.264 . . . . 0.0 110.636 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.532 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -58.97 -43.24 91.33 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.607 179.415 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 24' ' ' ALA . 18.6 mt -58.0 -54.26 48.97 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.135 0.493 . . . . 0.0 111.143 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -70.93 -38.39 72.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.812 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.4 95.4 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 120.936 0.398 . . . . 0.0 110.449 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.744 179.349 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.462 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -62.71 -21.37 65.73 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.85 -45.74 11.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.194 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -52.25 46.76 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.046 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 3.7 p30 -58.83 -43.39 90.66 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.775 0.321 . . . . 0.0 110.586 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.0 -48.16 74.96 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.37 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.5 mt -57.05 -50.19 73.5 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.336 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.528 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -58.82 -41.24 86.38 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.66 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -69.93 -48.47 58.34 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.54 179.581 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 16.9 mm -54.67 -57.54 6.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.42 -36.73 66.79 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.325 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 3.9 mmtt -63.12 -47.47 82.66 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.651 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.561 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -81.87 -34.99 29.77 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -65.69 -41.22 92.65 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.199 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -64.93 -39.21 93.16 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.538 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 24' ' ' ALA . 30.1 mt -51.92 -57.37 9.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.334 0.588 . . . . 0.0 111.951 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 mtm105 -74.5 -30.85 61.98 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.962 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.59 -44.04 83.27 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.733 0.301 . . . . 0.0 110.592 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 27' ' ' LEU . 2.2 pt20 . . . . . 0 N--CA 1.465 0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.941 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.364 0 CA-C-O 120.584 0.23 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -54.95 -49.24 71.84 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.627 0.727 . . . . 0.0 110.779 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -61.78 -49.02 85.98 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.121 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -48.21 77.25 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.092 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -56.85 -48.91 77.01 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.015 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.54 -50.51 72.37 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.16 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.4 tp -54.91 -47.8 73.9 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.078 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.3 t80 -52.59 -45.88 66.7 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.384 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -45.22 67.44 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.316 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.542 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 19.1 mm -54.81 -56.85 8.57 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.08 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.84 -37.3 68.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 110.198 178.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -64.1 -44.93 90.82 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.216 179.317 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.28 -37.93 27.67 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.636 0.255 . . . . 0.0 111.53 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -61.57 -44.2 97.45 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.122 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -67.84 -42.86 80.77 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.455 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 30.4 mt -55.07 -57.33 12.14 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.299 0.571 . . . . 0.0 111.331 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -41.53 99.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.74 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.28 94.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.952 0.405 . . . . 0.0 109.911 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.714 179.653 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -63.51 -25.01 68.06 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.07 0.462 . . . . 0.0 111.997 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 mt -101.09 -46.57 11.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.134 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.92 -49.16 66.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.472 178.794 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 12' ' ' THR . 5.6 t-20 -54.95 -47.33 74.64 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.952 0.406 . . . . 0.0 110.157 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.11 -50.83 62.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.198 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -49.49 72.53 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.309 178.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' HB2' ' O ' ' A' ' 15' ' ' MET . 0.6 OUTLIER -58.17 -40.85 82.49 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 179.02 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -46.04 56.08 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.549 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 17.1 mm -53.98 -61.5 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.88 -36.77 59.68 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.049 0.452 . . . . 0.0 109.972 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.1 mtpt -58.94 -58.49 8.41 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.131 179.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.84 -36.1 67.39 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -64.03 -43.1 96.61 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.829 -0.169 . . . . 0.0 111.192 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -69.22 -42.3 75.9 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.745 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 66.4 mt -58.25 -55.69 31.66 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.35 0.595 . . . . 0.0 110.512 178.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -39.47 88.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.221 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.93 -44.32 77.11 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.902 0.382 . . . . 0.0 110.182 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.925 179.734 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 120.654 0.264 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -56.97 -53.63 55.86 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.74 0.781 . . . . 0.0 110.692 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.455 ' HA ' ' CG ' ' A' ' 17' ' ' LEU . 2.8 mt -66.18 -44.09 91.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 114.244 -1.344 . . . . 0.0 110.361 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -49.63 68.13 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.669 0.271 . . . . 0.0 110.399 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.35 -51.24 70.64 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 18' ' ' LEU . 3.0 pp -67.35 -43.86 80.44 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.034 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 17' ' ' LEU . 15.1 tp -55.85 -45.54 78.43 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -48.87 -48.97 41.62 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.827 178.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.64 -44.59 56.53 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.948 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.547 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 10.9 mm -48.92 -56.7 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.05 -38.36 73.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.013 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -62.81 -46.66 86.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.009 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.81 -37.84 39.73 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.688 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -61.68 -44.31 97.19 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.289 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -64.97 -41.25 95.62 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.622 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.449 ' HA ' ' HG2' ' A' ' 30' ' ' GLN . 81.9 mt -59.05 -56.06 27.08 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.501 0.667 . . . . 0.0 110.747 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -40.25 82.81 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.154 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.63 -44.87 66.3 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.024 0.44 . . . . 0.0 110.706 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' HG2' ' HA ' ' A' ' 27' ' ' LEU . 7.5 pt20 . . . . . 0 C--N 1.327 -0.372 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.497 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -72.39 -6.27 42.26 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mt -112.47 -45.54 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -47.43 65.89 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.367 178.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 17' ' ' LEU . 39.3 p-10 -59.92 -46.73 88.42 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.206 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.407 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 54.3 mt -59.93 -51.35 70.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.092 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 mt -54.5 -51.13 66.07 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.268 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.7 t80 -56.41 -42.33 77.81 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.148 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -68.92 -47.4 65.85 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.25 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.501 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 13.3 mm -53.21 -57.31 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.66 -36.85 65.03 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.017 0.437 . . . . 0.0 110.155 177.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -63.61 -43.98 95.3 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.67 179.47 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . . . -84.08 -37.58 21.88 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.141 0.275 . . . . 0.0 111.123 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -57.77 -44.42 86.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.276 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -76.05 -41.0 52.09 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.528 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -61.72 -16.67 51.19 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.804 178.726 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.09 -46.46 3.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.643 0.259 . . . . 0.0 110.711 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.16 -26.23 58.93 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 . . . . . 0 CA--C 1.529 0.141 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.312 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 120.47 0.176 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.456 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 36.4 m -59.15 90.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.093 0.473 . . . . 0.0 111.565 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 44.92 39.79 3.9 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.474 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.7 t 77.54 -3.74 2.38 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -102.6 48.55 0.86 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.484 179.116 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.35 74.99 1.28 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.712 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 10' ' ' VAL . 7.0 p -128.92 58.2 35.12 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-O 121.478 0.656 . . . . 0.0 111.812 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.496 ' HD2' ' HB ' ' A' ' 14' ' ' ILE . 61.2 Cg_endo -71.61 165.54 32.2 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.725 2.283 . . . . 0.0 112.488 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.37 -42.07 30.61 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.897 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -66.88 -23.48 66.01 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.021 0.438 . . . . 0.0 111.794 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.496 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 1.9 mt -97.35 -45.78 12.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.23 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.503 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -51.1 -53.39 34.58 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.54 179.091 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -55.61 -46.63 77.31 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.874 0.369 . . . . 0.0 110.498 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.42 -52.34 61.95 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.024 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -47.88 77.49 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.879 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.503 ' HB2' ' O ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -57.38 -41.66 80.65 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.587 178.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.97 -47.05 61.08 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.403 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.511 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 12.4 mm -54.62 -57.92 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.53 -36.92 64.79 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.994 0.426 . . . . 0.0 110.155 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.3 tmtt? -61.75 -57.56 11.43 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.973 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -36.18 73.67 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -65.73 -45.53 82.33 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 121.377 -0.129 . . . . 0.0 111.056 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -68.74 -39.89 80.11 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.151 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 32.3 mt -54.61 -55.27 31.2 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.475 0.655 . . . . 0.0 110.402 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -28.01 66.36 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.609 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.675 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -69.47 -49.63 52.99 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 120.882 0.372 . . . . 0.0 110.317 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.555 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -81.02 -1.76 45.25 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.813 179.322 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.97 -52.49 2.94 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.193 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.32 -16.25 31.54 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -113.44 2.3 15.37 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.555 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -92.2 -55.26 3.49 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.782 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.83 9.52 30.93 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.557 ' CE1' HD23 ' A' ' 37' ' ' LEU . 19.2 p80 44.94 24.31 0.11 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.557 HD23 ' CE1' ' A' ' 36' ' ' HIS . 1.9 pp -171.62 22.4 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.724 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -93.89 -3.32 51.98 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.664 0.269 . . . . 0.0 111.35 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.08 40.18 3.77 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -107.16 -55.83 2.28 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.457 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.6 pt . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.993 -1.003 . . . . 0.0 112.463 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.455 ' CD1' HD12 ' A' ' 6' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 120.47 0.176 . . . . 0.0 111.387 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.735 HG21 HD22 ' A' ' 18' ' ' LEU . 10.2 t -76.5 75.57 3.23 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.384 0.611 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.455 HD12 ' CD1' ' A' ' 4' ' ' PHE . 3.1 mt -130.64 172.58 11.79 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.065 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.7 m 60.31 43.22 13.88 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.669 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.47 45.8 4.62 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.936 0.398 . . . . 0.0 111.788 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -127.83 79.96 1.93 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.495 0.664 . . . . 0.0 110.655 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 10' ' ' VAL . 9.0 p -129.45 55.09 16.47 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.668 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.475 ' HD2' ' HB ' ' A' ' 14' ' ' ILE . 72.7 Cg_endo -75.5 167.33 26.8 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.805 2.336 . . . . 0.0 112.623 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -48.77 -52.16 25.34 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.634 0.254 . . . . 0.0 111.439 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -51.64 -38.7 55.97 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.487 0.66 . . . . 0.0 111.343 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.475 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 0.9 OUTLIER -82.55 -46.25 19.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.215 179.01 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.522 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.61 -47.82 66.71 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.226 178.818 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -54.67 -51.79 64.38 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.181 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.9 pp -70.31 -44.06 69.07 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.735 HD22 HG21 ' A' ' 5' ' ' THR . 14.2 tp -58.2 -49.06 78.36 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.403 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 15' ' ' MET . 1.2 t80 -56.67 -41.8 77.89 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.691 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -47.8 31.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.098 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 26.0 mt -51.49 -59.76 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.83 -37.82 66.63 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.397 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -60.45 -51.14 70.74 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.391 179.479 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.586 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -77.45 -36.5 52.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.475 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -63.61 -45.28 91.04 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.274 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -65.18 -39.96 93.62 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 24' ' ' ALA . 44.6 mt -53.12 -55.17 26.07 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.333 0.587 . . . . 0.0 111.219 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.65 -28.15 65.64 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.861 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.27 -50.98 34.03 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 120.981 0.42 . . . . 0.0 109.926 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -25.26 62.36 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.642 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.11 -52.06 7.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.766 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.39 81.91 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.19 -53.97 21.2 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.443 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -60.1 -40.67 90.46 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.978 -179.559 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.23 -25.43 61.67 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.971 0.415 . . . . 0.0 111.986 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -81.03 -51.92 7.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.056 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' CD2' ' HA ' ' A' ' 34' ' ' ASN . 1.8 pp -69.84 -30.88 68.48 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.808 0.337 . . . . 0.0 111.68 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.8 ttm -74.06 -24.45 59.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.201 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.96 32.83 4.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.044 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -68.43 -38.26 81.02 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.682 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.6 mm . . . . . 0 C--O 1.252 1.195 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.909 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.407 ' O ' ' HB ' ' A' ' 5' ' ' THR . 45.4 m-85 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 120.185 0.041 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 4' ' ' PHE . 20.4 m 74.17 136.06 0.05 Allowed 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.4 0.437 . . . . 0.0 111.236 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.2 mt -109.5 177.46 4.73 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 m -160.31 60.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.034 0.445 . . . . 0.0 111.218 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp 59.4 36.64 23.3 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.421 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -90.31 62.17 5.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.76 0.791 . . . . 0.0 110.769 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.506 ' O ' HG12 ' A' ' 10' ' ' VAL . 25.0 t -114.95 89.32 19.2 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.457 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.509 ' HG2' ' HB ' ' A' ' 14' ' ' ILE . 95.1 Cg_endo -84.84 157.12 11.77 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.75 2.3 . . . . 0.0 112.864 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.85 -46.99 68.08 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -53.8 -27.63 30.42 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.821 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.509 ' HB ' ' HG2' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -90.5 -46.21 14.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.094 179.022 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -50.86 69.71 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.552 179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -55.71 -41.67 74.15 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.323 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.7 mt -69.03 -54.22 16.34 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.138 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 21' ' ' ILE . 48.3 mt -52.55 -47.13 66.97 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.655 179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -56.39 -43.07 78.92 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.565 178.839 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.93 -45.58 41.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.926 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.569 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 35.2 mt -49.08 -61.12 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.43 ' O ' ' ND2' ' A' ' 26' ' ' ASN . . . -54.11 -39.61 66.54 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -56.87 -55.28 36.42 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.3 179.048 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.472 ' HA ' HD23 ' A' ' 27' ' ' LEU . . . -74.97 -36.57 62.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.252 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -56.46 -45.4 80.89 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.303 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 22' ' ' ALA . 7.3 p30 -75.28 -42.39 54.99 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.127 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -56.79 -52.93 63.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.003 0.43 . . . . 0.0 111.377 178.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -66.1 -37.65 86.28 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.276 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.801 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -70.07 -42.1 73.24 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.23 0.538 . . . . 0.0 110.696 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.425 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 1.6 tp60 -78.45 -17.95 55.59 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.233 -0.587 . . . . 0.0 112.091 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.72 -49.08 4.97 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.595 0.236 . . . . 0.0 111.437 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.08 -4.13 36.52 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -124.5 -5.75 7.63 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.425 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 8.9 t-20 -86.76 -64.85 1.08 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.97 5.21 30.16 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.414 ' CD2' ' C ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -108.44 -63.59 1.32 Allowed 'General case' 0 CA--C 1.537 0.444 0 O-C-N 122.393 -0.192 . . . . 0.0 111.298 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mt -53.95 -30.24 45.83 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.948 0.404 . . . . 0.0 111.764 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.5 ttm -58.45 -22.42 54.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.836 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.6 12.67 32.75 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.707 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -133.47 -54.68 0.9 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.811 -0.177 . . . . 0.0 111.09 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.8 mm . . . . . 0 C--O 1.252 1.228 0 CA-C-O 118.647 -0.692 . . . . 0.0 111.468 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' O ' HG22 ' A' ' 5' ' ' THR . 5.1 p90 . . . . . 0 N--CA 1.495 1.785 0 N-CA-C 111.171 0.063 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER 73.49 135.81 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.475 0.485 . . . . 0.0 111.387 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -110.83 51.22 0.78 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.531 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.0 t 58.96 47.83 11.72 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.989 0.424 . . . . 0.0 111.191 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mt -122.06 56.68 1.08 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.632 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -160.72 95.42 1.09 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.397 0.618 . . . . 0.0 111.059 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.44 ' O ' HG12 ' A' ' 10' ' ' VAL . 46.2 t -123.3 62.48 21.75 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.469 ' HG2' ' HB ' ' A' ' 14' ' ' ILE . 52.6 Cg_endo -68.99 166.27 27.21 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.587 2.191 . . . . 0.0 112.427 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.53 -48.64 27.41 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.392 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -57.08 -53.94 52.39 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.59 0.709 . . . . 0.0 110.859 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.469 ' HB ' ' HG2' ' A' ' 11' ' ' PRO . 2.0 mt -62.14 -47.73 91.78 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 114.694 -1.139 . . . . 0.0 110.691 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -52.75 58.97 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.703 0.287 . . . . 0.0 110.266 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -57.49 -46.69 83.44 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.504 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.84 -51.68 63.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.763 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 18' ' ' LEU . 21.5 mt -56.25 -46.88 79.45 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.631 0.253 . . . . 0.0 110.376 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.475 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -56.13 -43.87 78.61 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.331 178.653 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -45.28 72.5 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.351 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.565 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 14.5 mm -55.48 -59.24 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.67 -35.53 61.16 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.948 0.404 . . . . 0.0 110.46 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.12 -51.93 53.27 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.126 179.299 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.25 -35.69 61.37 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -63.0 -45.23 93.37 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.908 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -69.31 -42.51 75.32 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.302 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 42.9 mt -55.3 -55.66 28.94 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.423 0.63 . . . . 0.0 110.794 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -42.79 95.26 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.705 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.74 -45.44 82.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.025 0.44 . . . . 0.0 109.975 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -67.58 -38.86 84.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.819 179.595 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.17 -52.73 10.24 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.256 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' HIS . . . -59.83 -41.42 91.29 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.732 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.18 -44.61 65.11 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.995 0.426 . . . . 0.0 111.734 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 5.3 t30 -68.62 -47.09 67.53 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.328 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.4 38.8 0.8 Allowed 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.492 ' HB3' HD23 ' A' ' 37' ' ' LEU . 5.9 t-80 -112.72 -56.67 2.38 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.727 0.299 . . . . 0.0 110.99 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 36' ' ' HIS . 0.4 OUTLIER -110.89 -33.85 6.4 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.66 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.1 ttp -53.06 -31.47 41.77 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.106 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.91 24.95 12.17 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.317 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.565 ' HB3' HD12 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -124.36 -52.83 1.72 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.373 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.565 HD12 ' HB3' ' A' ' 40' ' ' GLN . 2.9 mp . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.077 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.5 ' O ' ' HB ' ' A' ' 5' ' ' THR . 1.4 p90 . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 111.134 0.05 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.707 HG23 ' HG3' ' A' ' 11' ' ' PRO . 98.9 m 73.28 130.8 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.543 0.527 . . . . 0.0 111.492 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 7' ' ' SER . 1.6 pp -129.6 134.81 47.92 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.207 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.418 ' HB2' HD12 ' A' ' 6' ' ' LEU . 0.6 OUTLIER 50.85 21.38 0.94 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.052 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 46.24 38.79 5.39 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.984 0.421 . . . . 0.0 111.416 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.66 56.01 0.17 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.779 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 10' ' ' VAL . 12.7 p 34.6 60.22 2.22 Favored Pre-proline 0 N--CA 1.472 0.643 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.566 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.756 ' HG2' HD13 ' A' ' 14' ' ' ILE . 59.2 Cg_endo -70.3 166.64 27.61 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.522 2.148 . . . . 0.0 112.657 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -40.17 63.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.554 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -71.66 -11.66 60.95 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.869 ' HA ' HD23 ' A' ' 17' ' ' LEU . 1.4 mp -105.23 -47.24 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.152 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.454 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.13 -50.55 61.48 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.64 179.233 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 17' ' ' LEU . 47.8 p-10 -61.3 -48.03 83.23 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.988 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.869 HD23 ' HA ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -62.77 -45.14 94.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.227 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.555 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 18.5 tp -61.8 -49.68 75.36 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 178.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -58.79 -40.03 82.8 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.97 179.042 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -45.99 55.59 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.81 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 7.9 mm -56.77 -57.4 9.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.97 -36.45 62.9 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.976 0.417 . . . . 0.0 109.976 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -57.45 -63.12 1.34 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.931 178.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.85 77.8 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -62.72 -41.75 99.31 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.862 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -75.98 -45.78 33.05 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.473 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 18.8 mt -55.31 -39.47 69.96 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -81.51 -45.22 16.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.04 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.34 95.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.974 0.416 . . . . 0.0 110.31 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 1.3 tt0 -71.99 -31.16 65.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.824 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.79 -50.6 7.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.586 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.52 -34.02 76.87 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.3 -53.71 7.01 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 0.1 OUTLIER -59.72 -32.84 70.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.555 -179.458 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.73 0.48 26.6 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -129.44 -57.59 1.13 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mt -64.57 -46.01 84.59 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.221 0.534 . . . . 0.0 111.72 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -22.96 64.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.778 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.81 -0.3 42.83 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.93 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.441 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 2.0 tt0 -94.88 -48.97 5.78 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.197 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.441 ' HB ' ' O ' ' A' ' 40' ' ' GLN . 4.9 mt . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.028 -0.986 . . . . 0.0 111.198 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 120.438 0.161 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -154.72 115.14 3.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.057 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.02 62.39 1.14 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.22 0.533 . . . . 0.0 110.868 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.1 p -144.51 52.31 1.26 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.391 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -118.29 35.15 4.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.021 0.439 . . . . 0.0 111.634 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -92.79 62.77 3.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.336 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 10' ' ' VAL . 53.8 t 25.75 71.58 0.38 Allowed Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.708 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.407 ' HD2' HD13 ' A' ' 14' ' ' ILE . 72.3 Cg_endo -76.05 174.02 13.52 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.7 2.267 . . . . 0.0 113.086 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.66 -46.06 49.26 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.668 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -53.12 -34.92 58.83 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.504 0.668 . . . . 0.0 111.302 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.8 ' HA ' HD23 ' A' ' 17' ' ' LEU . 1.1 mp -84.03 -49.61 16.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.065 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -46.84 71.15 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.475 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -57.59 -48.32 79.7 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.643 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.8 HD23 ' HA ' ' A' ' 14' ' ' ILE . 0.3 OUTLIER -67.21 -42.37 84.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.34 179.123 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.511 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 49.1 mt -60.77 -46.74 89.32 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.65 0.262 . . . . 0.0 110.307 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.498 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.5 t80 -55.79 -43.83 77.18 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.017 179.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.56 -45.97 34.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.1 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.574 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 9.4 mm -51.22 -59.01 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.33 66.99 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.135 0.493 . . . . 0.0 109.936 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' A' ' 27' ' ' LEU . 1.3 tppt? -58.06 -61.63 2.41 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.823 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.715 ' HA ' HD23 ' A' ' 27' ' ' LEU . . . -68.94 -37.54 78.94 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -60.9 -46.08 92.04 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.486 0.184 . . . . 0.0 110.673 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -43.04 66.05 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.059 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.715 HD23 ' HA ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -59.51 -53.8 53.88 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.021 0.438 . . . . 0.0 111.754 179.326 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.487 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -67.79 -41.28 83.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.724 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.76 92.62 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -35.56 69.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.723 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.93 -52.66 9.02 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.133 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 36' ' ' HIS . . . -61.25 -43.53 98.72 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.844 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.416 ' HB1' ' CD2' ' A' ' 37' ' ' LEU . . . -64.76 -52.71 55.5 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.237 0.541 . . . . 0.0 111.664 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 38' ' ' MET . 3.9 t30 -60.79 -45.42 94.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.75 41.38 1.04 Allowed 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.44 ' HB2' ' O ' ' A' ' 32' ' ' ALA . 12.9 t-80 -161.43 -54.01 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.416 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 1.6 pp -83.93 -5.57 59.24 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -60.38 -20.79 60.88 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -145.05 51.98 1.22 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.949 0.404 . . . . 0.0 111.305 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.24 -37.66 10.91 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.782 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.022 -179.867 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.0 p90 . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 120.313 0.102 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.6 p 49.87 67.6 0.88 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.851 0.358 . . . . 0.0 111.458 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mt 65.88 -179.25 0.19 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.255 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.18 55.19 0.64 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 111.066 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.25 48.21 0.85 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.627 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t70 45.88 89.56 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.143 0.577 . . . . 0.0 112.371 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.749 HG23 HG22 ' A' ' 14' ' ' ILE . 7.5 p 39.89 76.49 0.49 Allowed Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.978 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.601 ' HG2' HD13 ' A' ' 14' ' ' ILE . 9.3 Cg_endo -51.08 155.76 5.83 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.177 2.585 . . . . 0.0 112.941 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -47.94 -49.92 28.73 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.696 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -57.33 -29.61 64.12 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.162 0.506 . . . . 0.0 111.779 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.749 HG22 HG23 ' A' ' 10' ' ' VAL . 1.3 mp -89.55 -48.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.317 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -49.67 68.85 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.367 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -57.34 -46.06 83.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.957 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.88 -54.48 44.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.934 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.0 mt -52.25 -47.01 66.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.38 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -44.59 68.32 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.506 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.447 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -74.76 -43.9 52.48 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.174 179.003 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.566 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 21.4 mm -48.83 -59.37 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.89 -48.02 70.52 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -49.98 -51.37 42.09 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.27 178.613 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.468 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -77.56 -37.73 50.05 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.453 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -58.77 -43.46 90.4 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.429 179.338 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -37.63 83.19 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.412 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 24' ' ' ALA . 23.7 mt -59.67 -60.29 4.07 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.265 0.555 . . . . 0.0 111.145 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -41.24 90.81 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.654 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.98 85.38 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.576 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.42 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 1.3 tt0 -71.62 -39.88 70.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.044 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.56 -49.1 17.25 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.06 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.7 -14.66 61.7 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.67 -54.66 2.78 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.942 0.401 . . . . 0.0 111.621 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 3.5 t30 -66.55 -50.34 63.47 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.66 43.04 1.11 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.045 0.45 . . . . 0.0 111.322 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -148.73 -61.0 0.24 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.583 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.424 HD22 HG22 ' A' ' 41' ' ' ILE . 6.1 mt -77.89 -25.44 48.51 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 37.8 ttm -52.44 -25.96 11.42 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.12 7.88 43.61 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.887 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.85 -46.34 1.04 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.424 HG22 HD22 ' A' ' 37' ' ' LEU . 2.6 tp . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.559 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.45 ' HB2' ' CD2' ' A' ' 6' ' ' LEU . 83.3 m-85 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 120.7 0.286 . . . . 0.0 111.359 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 p -83.83 88.41 7.1 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.923 0.392 . . . . 0.0 111.103 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 4' ' ' PHE . 0.6 OUTLIER -144.93 60.43 1.31 Allowed 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.111 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.3 t -131.38 46.39 2.67 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.766 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.99 36.24 12.65 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.13 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.1 64.61 2.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 110.667 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 10' ' ' VAL . 9.2 p -118.34 85.22 24.9 Favored Pre-proline 0 CA--C 1.54 0.584 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.517 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.462 ' HG2' ' HB ' ' A' ' 14' ' ' ILE . 97.7 Cg_endo -78.87 156.08 26.96 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.538 2.159 . . . . 0.0 112.622 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.48 -43.35 45.09 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.187 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -56.25 -32.71 64.74 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.326 0.584 . . . . 0.0 111.326 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.462 ' HB ' ' HG2' ' A' ' 11' ' ' PRO . 1.3 mp -86.4 -43.62 16.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.891 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -55.98 -51.2 68.55 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.416 178.798 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.63 -44.95 81.73 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.04 0.448 . . . . 0.0 110.358 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.69 -54.37 36.6 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.039 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.5 mt -53.35 -47.64 69.2 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.261 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 15' ' ' MET . 0.1 OUTLIER -55.51 -42.91 75.14 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.86 179.048 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.422 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -74.73 -46.29 38.47 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.911 179.698 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.553 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 27.9 mm -53.8 -58.1 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.08 -51.1 59.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 2.7 mtpt -44.92 -61.47 1.6 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.103 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.583 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -65.84 -39.29 90.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.4 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -62.59 -47.43 83.82 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.985 179.778 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.59 -33.12 75.16 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.269 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 24' ' ' ALA . 26.0 mt -64.89 -44.02 91.02 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.19 0.519 . . . . 0.0 110.973 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.84 -39.71 26.08 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.252 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.612 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -60.85 -33.7 73.46 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.99 0.424 . . . . 0.0 110.075 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -104.4 29.64 5.92 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.381 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.52 -49.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.008 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.98 -15.99 34.97 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.946 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -98.71 -41.32 7.74 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -63.39 -43.01 98.79 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.04 -16.48 63.95 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -99.72 -53.29 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.206 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.5 mt -53.97 -23.01 11.66 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.01 0.23 51.41 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.63 35.84 0.5 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -142.28 -66.31 0.4 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.741 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 pt . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.524 -0.75 . . . . 0.0 112.636 -179.838 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 111.126 0.047 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 75.63 137.25 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.378 0.424 . . . . 0.0 111.201 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.7 mt 66.97 171.28 0.25 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.744 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.89 34.23 19.64 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.691 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.19 51.05 1.82 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.028 0.442 . . . . 0.0 111.201 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.413 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -142.39 86.5 1.96 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 121.095 0.474 . . . . 0.0 110.405 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.3 t -56.4 106.63 0.7 Allowed Pre-proline 0 N--CA 1.469 0.478 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.507 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.542 ' HG2' HD13 ' A' ' 14' ' ' ILE . 89.8 Cg_endo -87.08 157.44 8.46 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.872 2.382 . . . . 0.0 113.301 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -45.56 68.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.406 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -53.44 -43.29 67.92 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.464 0.649 . . . . 0.0 111.289 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.542 HD13 ' HG2' ' A' ' 11' ' ' PRO . 1.1 mp -73.74 -46.61 46.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.321 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -50.56 67.99 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.309 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -47.38 78.66 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.062 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.9 mt -59.51 -54.43 46.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.259 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HA ' HD12 ' A' ' 21' ' ' ILE . 80.9 mt -54.45 -47.5 72.82 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.198 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -44.46 74.4 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.171 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.56 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -71.21 -41.73 69.87 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.922 179.355 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.571 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 64.4 mt -54.39 -59.06 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.05 -42.37 69.16 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 7.0 mtpt -49.53 -64.12 0.9 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.314 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.35 -40.67 81.43 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -59.12 -34.75 72.39 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 111.387 0.143 . . . . 0.0 111.387 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -92.05 -42.72 9.8 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.48 -179.68 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 22.7 mt -45.44 -54.77 6.92 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.474 0.654 . . . . 0.0 110.901 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.517 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -72.85 -40.32 65.8 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.782 179.741 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.907 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -67.9 -22.47 65.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.694 0.283 . . . . 0.0 111.453 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -104.8 -33.88 8.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -178.841 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.0 -22.78 18.33 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 28' ' ' ARG . . . -110.35 -26.19 9.69 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.907 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -89.09 -20.3 24.49 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.617 -0.433 . . . . 0.0 112.152 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 38' ' ' MET . 24.7 p-10 -63.54 -49.43 73.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.678 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.41 -12.34 60.48 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.828 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.05 -52.4 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.2 -14.2 61.3 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.434 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -57.07 -22.26 37.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 111.91 179.566 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.69 41.77 3.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.55 -40.4 63.98 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.834 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.0 tt . . . . . 0 C--O 1.252 1.228 0 CA-C-O 118.346 -0.835 . . . . 0.0 111.325 -179.629 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.41 ' CE2' HG23 ' A' ' 5' ' ' THR . 39.8 t80 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 120.273 0.082 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.41 HG23 ' CE2' ' A' ' 4' ' ' PHE . 1.0 OUTLIER 49.04 74.04 0.2 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.896 0.379 . . . . 0.0 112.005 179.714 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.48 116.3 12.27 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.3 p -92.95 -5.03 51.67 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 55.84 41.68 29.84 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.682 0.277 . . . . 0.0 111.379 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.431 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 25.5 t0 45.77 79.5 0.05 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.195 0.521 . . . . 0.0 111.558 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.495 HG13 HG22 ' A' ' 14' ' ' ILE . 44.6 t -64.46 108.76 2.13 Favored Pre-proline 0 N--CA 1.467 0.411 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.751 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 9' ' ' ASP . 89.4 Cg_endo -80.45 158.15 22.42 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.865 2.377 . . . . 0.0 113.03 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.58 -45.62 57.38 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.599 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -55.16 -32.79 62.4 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.235 0.541 . . . . 0.0 111.658 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.495 HG22 HG13 ' A' ' 10' ' ' VAL . 4.9 mt -87.99 -46.32 15.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.01 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -51.53 46.74 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.466 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -56.19 -46.38 79.44 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.008 0.432 . . . . 0.0 110.16 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.6 mt -60.48 -53.78 53.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.101 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.8 mt -54.87 -48.35 73.06 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.239 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.472 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -56.84 -42.29 79.43 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.442 178.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -46.04 63.13 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.557 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.494 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 69.3 mt -53.96 -59.34 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.38 -34.72 69.14 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.993 0.425 . . . . 0.0 110.347 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -64.55 -46.88 80.93 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.495 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.05 -39.29 26.01 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -62.46 -40.76 97.68 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.425 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -67.5 -42.35 83.01 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.454 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.59 -52.38 65.64 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.545 0.688 . . . . 0.0 110.509 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -64.19 -45.44 88.32 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.867 179.764 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.576 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -68.86 -31.13 69.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.619 0.247 . . . . 0.0 111.333 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.4 -39.21 19.31 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.87 -41.72 20.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.14 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 28' ' ' ARG . . . -80.16 -11.82 59.71 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -106.04 -39.92 5.83 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 38' ' ' MET . 12.5 p-10 -59.89 -40.57 89.17 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.403 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.49 0.36 42.82 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.18 -52.28 2.68 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD13 ' HB1' ' A' ' 33' ' ' ALA . 7.2 mp -67.01 -16.0 64.09 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 1.5 ttt -62.87 -15.54 55.15 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.22 45.41 2.77 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 120.919 0.39 . . . . 0.0 111.345 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -106.14 -46.73 4.0 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.948 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.0 tt . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.516 -0.754 . . . . 0.0 111.382 -179.443 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 120.454 0.169 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 t -165.74 134.67 3.23 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.737 0.303 . . . . 0.0 110.811 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pp -124.87 146.29 49.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.136 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -169.88 63.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.778 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mt 63.06 36.51 12.27 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.466 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.99 57.06 3.34 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.642 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 10' ' ' VAL . 14.9 p 40.72 58.29 8.13 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.572 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.471 ' HG2' HD13 ' A' ' 14' ' ' ILE . 72.8 Cg_endo -73.93 165.54 31.86 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.484 2.123 . . . . 0.0 112.64 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -46.63 46.49 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.672 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -59.62 -21.61 60.66 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.869 0.366 . . . . 0.0 111.93 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.471 HD13 ' HG2' ' A' ' 11' ' ' PRO . 1.2 mp -97.54 -48.49 12.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.201 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.67 -52.04 61.25 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -56.8 -41.47 77.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.162 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.418 ' O ' HG12 ' A' ' 21' ' ' ILE . 23.7 mt -65.21 -54.23 32.59 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.281 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.9 mt -51.48 -50.36 60.01 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.57 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.7 t80 -56.78 -42.28 79.16 Favored 'General case' 0 N--CA 1.461 0.081 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.446 178.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.15 -48.55 62.02 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.311 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.542 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 31.7 mm -53.71 -55.4 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.501 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -55.06 -47.33 74.97 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -50.88 -56.4 12.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.962 178.714 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.673 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -68.32 -43.37 77.71 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.683 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -59.32 -47.3 85.92 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.802 0.334 . . . . 0.0 110.551 179.483 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.501 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -59.66 -41.05 89.73 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.463 179.298 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 24' ' ' ALA . 19.9 mt -57.36 -47.95 80.28 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.201 0.524 . . . . 0.0 110.788 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -41.29 55.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.732 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.554 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -61.31 -35.07 76.36 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.022 0.439 . . . . 0.0 110.38 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -105.16 31.85 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.56 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.1 -48.05 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.14 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 36' ' ' HIS . . . -91.69 -6.11 52.59 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.298 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -108.45 -33.95 6.91 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -86.45 -53.72 4.83 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.761 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.61 -19.77 64.46 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 32' ' ' ALA . 2.1 t-80 -62.18 -41.62 98.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.865 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 pp -87.16 -36.55 17.99 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.982 0.42 . . . . 0.0 111.17 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.5 tpp -61.89 -34.03 75.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.48 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.35 15.36 19.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.767 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -112.89 -55.58 2.51 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.086 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.3 mm . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.407 -179.84 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 p90 . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 120.363 0.125 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.29 -155.38 0.49 Allowed 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 175.28 88.8 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.972 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.4 t -172.02 66.45 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.786 0.327 . . . . 0.0 111.46 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 mp 53.85 41.29 32.1 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.937 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.9 t0 40.63 82.07 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.68 0.752 . . . . 0.0 112.413 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.472 HG13 HG22 ' A' ' 14' ' ' ILE . 84.4 t -134.54 76.31 61.57 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.589 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.608 ' HD2' HD12 ' A' ' 14' ' ' ILE . 37.6 Cg_endo -65.8 162.9 32.76 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.612 2.208 . . . . 0.0 112.84 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -42.19 62.37 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.247 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.83 -6.72 40.1 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.608 HD12 ' HD2' ' A' ' 11' ' ' PRO . 0.9 OUTLIER -104.82 -47.18 9.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.538 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -50.52 68.42 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.622 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 17' ' ' LEU . 44.3 p-10 -57.34 -44.01 83.91 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.499 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 39.5 mt -66.08 -52.72 46.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.251 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.9 mt -53.63 -49.87 66.95 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.855 0.36 . . . . 0.0 110.336 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -55.76 -42.36 75.33 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.641 178.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.409 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -73.1 -46.53 50.78 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.604 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.532 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 24.0 mm -52.04 -56.56 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -54.26 -46.53 72.66 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 2.5 tttm -50.01 -59.1 4.21 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.896 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.95 -42.55 80.79 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.026 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -60.58 -45.22 94.75 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.789 0.328 . . . . 0.0 110.616 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.534 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -61.04 -41.52 96.73 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.042 178.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.78 -65.95 0.58 Allowed 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.256 0.55 . . . . 0.0 111.006 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -34.7 59.99 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.048 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -72.76 -49.67 29.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.819 0.342 . . . . 0.0 110.359 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -72.74 -36.36 67.72 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.133 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.22 -50.75 44.45 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.28 -44.55 75.28 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.283 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -84.35 -10.18 57.8 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 30' ' ' GLN . 1.1 t30 -58.18 -51.04 71.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.204 0.526 . . . . 0.0 110.135 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.14 -1.57 36.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.41 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 37.7 t60 71.91 -47.45 0.66 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.254 0.622 . . . . 0.0 111.37 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -100.34 15.86 26.33 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.567 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -19.43 63.85 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.906 0.384 . . . . 0.0 111.546 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.73 38.19 3.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.954 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.767 ' HB3' HD13 ' A' ' 41' ' ' ILE . 3.3 tp60 -87.33 -41.91 13.28 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.793 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.767 HD13 ' HB3' ' A' ' 40' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.02 -0.99 . . . . 0.0 111.337 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' O ' ' HB ' ' A' ' 5' ' ' THR . 23.7 t80 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.331 0.11 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 57.2 m 71.84 97.44 0.07 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.435 0.459 . . . . 0.0 111.08 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 5' ' ' THR . 3.0 mp 69.12 170.11 0.3 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.775 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.92 21.72 12.73 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.362 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -106.59 36.71 2.53 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.414 0.626 . . . . 0.0 110.688 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.04 58.89 1.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.109 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 10' ' ' VAL . 14.6 p 42.39 58.3 10.67 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.115 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.527 ' HD2' HD12 ' A' ' 14' ' ' ILE . 59.8 Cg_endo -71.9 166.32 29.9 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.7 2.267 . . . . 0.0 113.241 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -46.84 48.84 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.446 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -52.9 -52.48 57.5 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.575 0.702 . . . . 0.0 110.577 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.527 HD12 ' HD2' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -62.27 -49.12 85.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.33 178.696 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -50.3 69.05 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.41 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -58.03 -46.37 85.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.015 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.46 -50.7 71.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.191 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.6 mt -55.27 -47.61 75.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.458 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -44.25 75.36 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.326 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -44.11 70.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 16.9 mm -55.37 -56.93 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.08 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.16 -37.23 61.68 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.039 0.447 . . . . 0.0 109.932 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.4 tmtt? -61.27 -55.55 30.66 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.035 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.13 -36.8 66.76 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.718 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -61.55 -44.19 97.49 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.784 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -69.12 -42.96 75.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.929 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 76.0 mt -57.01 -49.45 75.75 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.458 0.646 . . . . 0.0 110.901 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -31.92 63.19 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.669 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.05 -48.92 64.31 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -25.96 66.23 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.361 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.03 -56.78 3.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.322 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.98 -30.64 71.75 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.353 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.62 -54.77 6.81 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.158 0.504 . . . . 0.0 111.828 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.05 -40.08 95.5 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.904 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.25 41.92 1.08 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.789 0.328 . . . . 0.0 111.69 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -104.3 -70.74 0.76 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.426 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mt -103.66 2.72 33.53 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.78 -3.04 58.8 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -143.06 43.44 1.56 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.97 0.414 . . . . 0.0 111.647 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.5 ' HB3' HD12 ' A' ' 41' ' ' ILE . 1.1 tt0 -107.75 -50.78 3.0 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.694 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 40' ' ' GLN . 2.0 mp . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.131 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.3 p90 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 120.197 0.046 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.7 m 61.92 76.74 0.36 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.697 0.284 . . . . 0.0 111.064 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 77.33 139.85 0.07 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.647 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.3 p -142.03 42.17 1.67 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.537 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 51.07 57.97 6.07 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.975 0.417 . . . . 0.0 111.933 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -146.57 88.83 1.79 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.501 0.667 . . . . 0.0 110.912 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.0 t -112.08 81.82 3.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.751 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.678 ' HG2' HD13 ' A' ' 14' ' ' ILE . 92.2 Cg_endo -80.47 161.83 22.28 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.732 2.288 . . . . 0.0 113.534 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -38.69 65.22 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.56 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' OD1' ' HB2' ' A' ' 11' ' ' PRO . 6.0 p-10 -67.94 -10.19 51.33 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.678 HD13 ' HG2' ' A' ' 11' ' ' PRO . 1.3 mp -100.75 -44.74 11.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -54.0 41.51 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -59.46 -44.69 92.92 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.267 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' A' ' 17' ' ' LEU . 17.8 mt -59.77 -50.82 72.32 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.044 178.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.0 mt -57.0 -48.03 79.42 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -56.88 -43.98 81.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.972 178.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -45.18 70.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.492 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 51.7 mt -53.96 -58.73 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.06 -36.48 60.66 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.995 0.426 . . . . 0.0 110.297 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -61.92 -54.37 42.87 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.409 179.349 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.45 -35.52 60.9 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.67 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -62.93 -42.72 99.89 Favored 'General case' 0 N--CA 1.458 -0.073 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.968 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -71.31 -36.35 71.58 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.917 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.448 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 85.7 mt -65.22 -49.06 71.13 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.376 0.607 . . . . 0.0 111.021 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.76 -36.58 73.16 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.974 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.38 -46.07 77.93 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.875 0.369 . . . . 0.0 110.204 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 2.4 pt20 -69.18 -32.71 72.2 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.392 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.19 -54.34 6.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.382 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 36' ' ' HIS . . . -61.8 -18.13 58.77 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.009 179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.34 -60.58 1.85 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.261 0.553 . . . . 0.0 111.822 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.23 -39.34 93.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.767 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.93 34.9 0.84 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.551 ' HB2' ' O ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -144.84 -71.48 0.27 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.339 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -62.69 -40.33 96.78 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.003 0.43 . . . . 0.0 111.687 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.0 ttt -63.4 -25.26 68.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.684 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.04 20.57 18.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.317 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.801 ' O ' HG22 ' A' ' 41' ' ' ILE . 2.5 tt0 -129.87 -57.77 1.1 Allowed 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.342 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.801 HG22 ' O ' ' A' ' 40' ' ' GLN . 1.9 tt . . . . . 0 C--O 1.252 1.193 0 O-C-N 123.717 0.636 . . . . 0.0 112.318 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.7 p90 . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 120.445 0.164 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 t -165.1 126.68 2.06 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.726 0.298 . . . . 0.0 111.192 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pp -168.37 145.92 4.09 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.1 t -157.82 57.66 0.48 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.842 0.353 . . . . 0.0 111.391 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.98 43.65 0.97 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.39 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -149.72 91.12 1.77 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.524 0.678 . . . . 0.0 110.822 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.459 HG12 ' CG ' ' A' ' 15' ' ' MET . 33.6 t -139.76 62.07 21.22 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.95 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.617 ' HG2' HD13 ' A' ' 14' ' ' ILE . 57.9 Cg_endo -70.7 167.04 26.81 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.638 2.226 . . . . 0.0 112.689 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -48.79 -45.3 39.92 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.73 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -67.5 -17.07 64.53 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.617 HD13 ' HG2' ' A' ' 11' ' ' PRO . 1.4 mp -101.62 -48.08 11.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.119 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.484 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.08 -52.49 50.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.621 178.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -56.56 -44.69 81.2 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.92 0.39 . . . . 0.0 110.484 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' O ' HG12 ' A' ' 21' ' ' ILE . 45.8 mt -67.74 -54.53 18.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.657 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.0 tp -53.19 -48.39 68.09 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.746 0.308 . . . . 0.0 110.445 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 15' ' ' MET . 0.5 OUTLIER -57.54 -41.69 81.43 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.449 178.749 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.54 -47.5 60.04 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.368 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.553 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 35.1 mm -54.73 -55.7 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.532 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -53.97 -45.61 71.4 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -50.64 -61.79 1.99 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.047 178.712 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.617 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -65.5 -41.34 93.34 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.812 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -61.2 -47.45 86.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.653 0.264 . . . . 0.0 110.636 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.532 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -58.97 -43.24 91.33 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.607 179.415 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 24' ' ' ALA . 18.6 mt -58.0 -54.26 48.97 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.135 0.493 . . . . 0.0 111.143 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -70.93 -38.39 72.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.812 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.738 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -64.63 -40.4 95.4 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 120.936 0.398 . . . . 0.0 110.449 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 11.7 mm-40 -93.97 12.72 25.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.744 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.38 -52.49 2.48 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.33 -23.94 24.45 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.748 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -109.23 6.01 24.28 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 9.4 t-20 -78.79 -62.91 1.54 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.786 0.327 . . . . 0.0 110.774 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.17 -3.88 53.15 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.333 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 70.41 -44.52 0.57 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.263 0.625 . . . . 0.0 112.029 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 pp -101.14 14.95 30.33 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -10.27 57.66 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -126.0 43.7 3.02 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.053 0.454 . . . . 0.0 110.793 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.66 34.52 3.62 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.687 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.3 tt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.034 -0.984 . . . . 0.0 111.2 179.798 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 t80 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 120.226 0.06 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.4 m 61.63 83.7 0.15 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.848 0.356 . . . . 0.0 111.432 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.719 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -122.16 132.95 54.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.941 0.401 . . . . 0.0 111.063 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.7 p -128.54 35.7 4.35 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.275 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.62 38.87 2.13 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.016 0.436 . . . . 0.0 111.011 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -169.35 99.7 0.34 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.396 0.617 . . . . 0.0 110.76 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.489 HG12 ' CG ' ' A' ' 15' ' ' MET . 21.9 t -139.8 60.89 16.8 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.794 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.451 ' HG2' ' HB ' ' A' ' 14' ' ' ILE . 57.4 Cg_endo -71.14 162.41 42.68 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.621 2.214 . . . . 0.0 112.414 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.41 -47.59 26.5 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -62.71 -21.37 65.73 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.451 ' HB ' ' HG2' ' A' ' 11' ' ' PRO . 1.4 mt -99.85 -45.74 11.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.194 179.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.489 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -51.29 -52.25 46.76 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.046 179.153 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 3.7 p30 -58.83 -43.39 90.66 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.775 0.321 . . . . 0.0 110.586 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.0 -48.16 74.96 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.37 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.5 mt -57.05 -50.19 73.5 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.336 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.528 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -58.82 -41.24 86.38 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.66 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -69.93 -48.47 58.34 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.54 179.581 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 16.9 mm -54.67 -57.54 6.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.42 -36.73 66.79 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.325 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 3.9 mmtt -63.12 -47.47 82.66 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.651 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.561 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -81.87 -34.99 29.77 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -65.69 -41.22 92.65 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.199 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -64.93 -39.21 93.16 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.538 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 24' ' ' ALA . 30.1 mt -51.92 -57.37 9.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.334 0.588 . . . . 0.0 111.951 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 mtm105 -74.5 -30.85 61.98 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.962 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.59 -44.04 83.27 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.733 0.301 . . . . 0.0 110.592 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 27' ' ' LEU . 2.2 pt20 -80.14 -24.54 40.37 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.941 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.23 -52.22 7.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.521 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.74 90.72 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.007 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -55.62 28.27 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.191 0.52 . . . . 0.0 112.158 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.573 ' HA ' ' HB2' ' A' ' 38' ' ' MET . 0.3 OUTLIER -63.15 -43.47 98.22 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.934 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.07 40.08 0.93 Allowed 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -164.32 -57.4 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.643 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 pp -94.2 -36.08 12.19 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.04 0.448 . . . . 0.0 111.385 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.573 ' HB2' ' HA ' ' A' ' 34' ' ' ASN . 8.6 ttm -82.87 -14.74 53.69 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.543 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.39 23.45 8.43 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.485 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.429 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 8.6 tt0 -82.51 -48.23 11.27 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.021 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 40' ' ' GLN . 3.3 mt . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.665 -0.684 . . . . 0.0 111.416 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 111.275 0.102 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.4 p 48.04 52.75 12.64 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.922 0.392 . . . . 0.0 111.875 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.42 64.13 0.82 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.205 0.526 . . . . 0.0 111.184 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.0 t -149.46 54.68 0.96 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.283 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mt -134.93 40.35 2.92 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.302 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t0 51.33 90.8 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.433 0.635 . . . . 0.0 112.154 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 10' ' ' VAL . 13.5 p -119.16 68.69 9.65 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-O 121.485 0.659 . . . . 0.0 111.408 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.541 ' HD2' HD12 ' A' ' 14' ' ' ILE . 30.2 Cg_endo -62.68 155.75 57.15 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.87 2.38 . . . . 0.0 113.177 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -43.38 55.65 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.227 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -54.95 -49.24 71.84 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.627 0.727 . . . . 0.0 110.779 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.541 HD12 ' HD2' ' A' ' 11' ' ' PRO . 2.1 mt -61.78 -49.02 85.98 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.121 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -48.21 77.25 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.092 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -56.85 -48.91 77.01 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.015 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.54 -50.51 72.37 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.16 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.4 tp -54.91 -47.8 73.9 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.078 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.3 t80 -52.59 -45.88 66.7 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.384 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -45.22 67.44 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.316 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.542 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 19.1 mm -54.81 -56.85 8.57 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.08 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.84 -37.3 68.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 110.198 178.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -64.1 -44.93 90.82 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.216 179.317 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.28 -37.93 27.67 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.636 0.255 . . . . 0.0 111.53 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -61.57 -44.2 97.45 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.122 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -67.84 -42.86 80.77 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.455 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 30.4 mt -55.07 -57.33 12.14 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.299 0.571 . . . . 0.0 111.331 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -41.53 99.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.74 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.28 94.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.952 0.405 . . . . 0.0 109.911 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -73.3 -36.32 66.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.714 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.23 -51.01 16.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.834 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.47 -49.62 76.07 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.655 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.81 -48.14 82.87 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.232 0.539 . . . . 0.0 112.048 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -61.58 -43.61 98.55 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.245 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -103.02 48.7 0.85 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -162.02 -68.65 0.05 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -99.99 -16.39 17.95 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -17.34 59.17 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.53 36.57 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.0 0.428 . . . . 0.0 111.17 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -55.3 6.59 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.586 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.014 -0.993 . . . . 0.0 111.36 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 120.533 0.206 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.4 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 14.8 t -173.36 133.04 0.49 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.094 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER 33.04 71.2 0.09 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.0 t -177.94 68.04 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.401 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 mt -142.02 39.47 1.63 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.937 0.399 . . . . 0.0 112.046 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER -75.47 55.59 0.82 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.982 0.42 . . . . 0.0 110.892 179.276 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.595 HG13 HG22 ' A' ' 14' ' ' ILE . 95.5 t 15.61 67.17 0.18 Allowed Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 124.17 0.988 . . . . 0.0 113.183 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 14' ' ' ILE . 69.3 Cg_endo -72.09 169.06 22.35 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.679 2.253 . . . . 0.0 111.929 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -45.57 -42.65 11.31 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.751 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -63.51 -25.01 68.06 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.07 0.462 . . . . 0.0 111.997 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.595 HG22 HG13 ' A' ' 10' ' ' VAL . 3.2 mt -101.09 -46.57 11.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.134 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.497 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -52.92 -49.16 66.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.472 178.794 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 12' ' ' THR . 5.6 t-20 -54.95 -47.33 74.64 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.952 0.406 . . . . 0.0 110.157 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.11 -50.83 62.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.198 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -49.49 72.53 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.309 178.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' HB2' ' O ' ' A' ' 15' ' ' MET . 0.6 OUTLIER -58.17 -40.85 82.49 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 179.02 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -46.04 56.08 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.549 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 17.1 mm -53.98 -61.5 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.88 -36.77 59.68 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.049 0.452 . . . . 0.0 109.972 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.1 mtpt -58.94 -58.49 8.41 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.131 179.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.84 -36.1 67.39 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -64.03 -43.1 96.61 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.829 -0.169 . . . . 0.0 111.192 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -69.22 -42.3 75.9 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.745 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 66.4 mt -58.25 -55.69 31.66 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.35 0.595 . . . . 0.0 110.512 178.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -39.47 88.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.221 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.601 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -67.93 -44.32 77.11 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.902 0.382 . . . . 0.0 110.182 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.466 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 9.7 mm100 -74.22 -24.14 59.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.925 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.573 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -89.26 -50.77 5.93 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.981 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.08 -22.63 45.01 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -113.71 -16.77 12.25 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -178.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -115.75 -58.68 2.09 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.573 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -71.68 -16.84 62.26 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.577 ' NE2' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -54.86 -29.46 55.45 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.577 HD23 ' NE2' ' A' ' 36' ' ' HIS . 2.1 pp -99.95 7.94 44.44 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.26 -5.03 23.51 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.85 52.06 0.5 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 111.336 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.33 -68.56 0.61 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.224 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.832 -0.604 . . . . 0.0 111.879 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.9 p90 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 120.451 0.167 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.7 p -109.23 -149.0 0.43 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.356 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.643 HD22 ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -62.19 151.18 36.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.02 0.438 . . . . 0.0 111.358 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.5 t -168.27 53.01 0.05 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.317 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.0 mt -133.43 49.57 2.28 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.71 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -149.36 88.19 1.56 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.296 0.569 . . . . 0.0 110.92 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.495 HG13 HG22 ' A' ' 14' ' ' ILE . 66.8 t -117.15 73.14 6.79 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.769 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.401 ' CG ' HD12 ' A' ' 14' ' ' ILE . 46.7 Cg_endo -67.55 163.61 34.24 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.739 2.292 . . . . 0.0 112.54 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -45.32 -45.02 12.06 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.512 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -56.97 -53.63 55.86 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.74 0.781 . . . . 0.0 110.692 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.495 HG22 HG13 ' A' ' 10' ' ' VAL . 2.8 mt -66.18 -44.09 91.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 114.244 -1.344 . . . . 0.0 110.361 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -49.63 68.13 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.669 0.271 . . . . 0.0 110.399 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.35 -51.24 70.64 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 18' ' ' LEU . 3.0 pp -67.35 -43.86 80.44 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.034 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 17' ' ' LEU . 15.1 tp -55.85 -45.54 78.43 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -48.87 -48.97 41.62 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.827 178.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.64 -44.59 56.53 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.948 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.547 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 10.9 mm -48.92 -56.7 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.05 -38.36 73.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.013 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -62.81 -46.66 86.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.009 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.81 -37.84 39.73 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.688 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -61.68 -44.31 97.19 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.289 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -64.97 -41.25 95.62 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.622 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.449 ' HA ' ' HG2' ' A' ' 30' ' ' GLN . 81.9 mt -59.05 -56.06 27.08 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.501 0.667 . . . . 0.0 110.747 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -58.63 -40.25 82.81 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.154 179.326 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.727 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -70.63 -44.87 66.3 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.024 0.44 . . . . 0.0 110.706 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.629 ' HA ' ' HB3' ' A' ' 34' ' ' ASN . 7.5 pt20 -73.15 -16.61 61.44 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.535 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -101.77 -50.51 3.67 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.849 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 28' ' ' ARG . . . -78.87 -18.22 54.31 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -114.12 -45.29 3.07 Favored 'General case' 0 C--N 1.342 0.25 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.629 ' HB3' ' HA ' ' A' ' 30' ' ' GLN . 1.1 t30 -80.76 -49.96 10.48 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.659 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.535 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -86.3 36.93 0.71 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.752 0.31 . . . . 0.0 111.586 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.45 ' CE1' ' HA ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -152.45 -60.43 0.15 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.901 179.414 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.1 mt -58.32 -26.66 63.32 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.889 0.376 . . . . 0.0 111.305 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.578 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 4.5 ttm -82.0 -0.32 43.66 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.717 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 38' ' ' MET . . . 85.85 57.92 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 122.96 0.504 . . . . 0.0 111.826 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.522 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -114.59 -64.33 1.33 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.591 179.357 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.522 ' HB ' ' O ' ' A' ' 40' ' ' GLN . 3.9 mp . . . . . 0 C--O 1.253 1.249 0 CA-C-O 117.845 -1.074 . . . . 0.0 112.024 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.4 p90 . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 120.307 0.098 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p 45.66 46.15 11.27 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.938 0.399 . . . . 0.0 111.671 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.9 mt -84.15 60.92 6.2 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.967 0.413 . . . . 0.0 111.217 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.19 39.95 28.44 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.646 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mt -134.51 38.02 3.1 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.098 0.475 . . . . 0.0 111.187 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -95.44 61.5 2.34 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.035 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' VAL . 13.6 p 41.02 57.49 8.56 Favored Pre-proline 0 N--CA 1.473 0.687 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.702 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.568 ' HD2' HD12 ' A' ' 14' ' ' ILE . 72.1 Cg_endo -74.7 165.6 31.18 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.601 2.201 . . . . 0.0 112.761 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -37.55 52.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.63 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -72.39 -6.27 42.26 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.568 HD12 ' HD2' ' A' ' 11' ' ' PRO . 3.6 mt -112.47 -45.54 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -47.43 65.89 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.367 178.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 17' ' ' LEU . 39.3 p-10 -59.92 -46.73 88.42 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.206 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 54.3 mt -59.93 -51.35 70.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.092 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 mt -54.5 -51.13 66.07 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.268 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.7 t80 -56.41 -42.33 77.81 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.148 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -68.92 -47.4 65.85 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.25 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.501 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 13.3 mm -53.21 -57.31 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.66 -36.85 65.03 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.017 0.437 . . . . 0.0 110.155 177.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -63.61 -43.98 95.3 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.67 179.47 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . . . -84.08 -37.58 21.88 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.141 0.275 . . . . 0.0 111.123 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -57.77 -44.42 86.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.276 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -76.05 -41.0 52.09 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.93 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -61.72 -16.67 51.19 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.804 178.726 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -107.09 -46.46 3.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.643 0.259 . . . . 0.0 110.711 178.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.742 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -75.16 -26.23 58.93 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.559 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 1.2 tp60 -112.51 -23.74 10.1 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.93 ' HB3' ' O ' ' A' ' 27' ' ' LEU . . . -96.83 -29.11 13.92 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.444 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 28' ' ' ARG . . . -106.44 -26.5 11.42 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -95.57 -6.68 39.8 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -179.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.559 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 2.0 p30 -74.93 -39.6 61.29 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.167 -0.333 . . . . 0.0 111.645 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.79 -16.76 49.89 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -49.22 -40.97 35.73 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mt -100.59 9.25 42.77 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.76 -31.86 6.82 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.808 0.337 . . . . 0.0 111.848 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.03 21.25 6.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.932 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 2.2 tt0 -88.93 -59.34 2.25 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.825 -0.171 . . . . 0.0 111.162 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' A' ' 40' ' ' GLN . 2.9 mt . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.06 -0.971 . . . . 0.0 111.759 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.562 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -66.88 -23.48 66.01 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.021 0.438 . . . . 0.0 111.794 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mt -97.35 -45.78 12.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.23 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.503 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -51.1 -53.39 34.58 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.54 179.091 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -55.61 -46.63 77.31 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.874 0.369 . . . . 0.0 110.498 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.42 -52.34 61.95 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.024 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -47.88 77.49 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.879 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.503 ' HB2' ' O ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -57.38 -41.66 80.65 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.587 178.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.97 -47.05 61.08 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.403 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.511 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 12.4 mm -54.62 -57.92 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.53 -36.92 64.79 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.994 0.426 . . . . 0.0 110.155 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.3 tmtt? -61.75 -57.56 11.43 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.973 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -36.18 73.67 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -65.73 -45.53 82.33 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 121.377 -0.129 . . . . 0.0 111.056 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -68.74 -39.89 80.11 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.151 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 32.3 mt -54.61 -55.27 31.2 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.475 0.655 . . . . 0.0 110.402 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -28.01 66.36 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.609 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.47 -49.63 52.99 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 120.882 0.372 . . . . 0.0 110.317 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.415 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.813 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.468 0.443 0 CA-C-O 120.634 0.254 . . . . 0.0 111.439 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -51.64 -38.7 55.97 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.487 0.66 . . . . 0.0 111.343 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.422 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -82.55 -46.25 19.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.215 179.01 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.522 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.61 -47.82 66.71 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.226 178.818 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -54.67 -51.79 64.38 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.181 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.9 pp -70.31 -44.06 69.07 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.642 ' N ' HD12 ' A' ' 17' ' ' LEU . 14.2 tp -58.2 -49.06 78.36 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.403 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 15' ' ' MET . 1.2 t80 -56.67 -41.8 77.89 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.691 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -47.8 31.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.098 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 26.0 mt -51.49 -59.76 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.83 -37.82 66.63 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.397 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -60.45 -51.14 70.74 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.391 179.479 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.586 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -77.45 -36.5 52.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.475 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -63.61 -45.28 91.04 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.274 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -65.18 -39.96 93.62 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 24' ' ' ALA . 44.6 mt -53.12 -55.17 26.07 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.333 0.587 . . . . 0.0 111.219 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.65 -28.15 65.64 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.861 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.27 -50.98 34.03 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 120.981 0.42 . . . . 0.0 109.926 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.253 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.642 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 120.543 0.211 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -53.8 -27.63 30.42 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.821 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -90.5 -46.21 14.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.094 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -50.86 69.71 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.552 179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -55.71 -41.67 74.15 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.323 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.7 mt -69.03 -54.22 16.34 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.138 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 21' ' ' ILE . 48.3 mt -52.55 -47.13 66.97 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.655 179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -56.39 -43.07 78.92 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.565 178.839 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.93 -45.58 41.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.926 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.569 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 35.2 mt -49.08 -61.12 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.43 ' O ' ' ND2' ' A' ' 26' ' ' ASN . . . -54.11 -39.61 66.54 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -56.87 -55.28 36.42 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.3 179.048 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.472 ' HA ' HD23 ' A' ' 27' ' ' LEU . . . -74.97 -36.57 62.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.252 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -56.46 -45.4 80.89 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.303 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 22' ' ' ALA . 7.3 p30 -75.28 -42.39 54.99 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.127 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -56.79 -52.93 63.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.003 0.43 . . . . 0.0 111.377 178.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -66.1 -37.65 86.28 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.276 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.07 -42.1 73.24 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.23 0.538 . . . . 0.0 110.696 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--N 1.321 -0.653 0 C-N-CA 120.233 -0.587 . . . . 0.0 112.091 -179.841 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.351 0 CA-C-O 120.533 0.206 . . . . 0.0 111.392 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -57.08 -53.94 52.39 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.59 0.709 . . . . 0.0 110.859 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mt -62.14 -47.73 91.78 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 114.694 -1.139 . . . . 0.0 110.691 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -52.75 58.97 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.703 0.287 . . . . 0.0 110.266 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -57.49 -46.69 83.44 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.504 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.84 -51.68 63.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.763 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 18' ' ' LEU . 21.5 mt -56.25 -46.88 79.45 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.631 0.253 . . . . 0.0 110.376 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.475 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -56.13 -43.87 78.61 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.331 178.653 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -45.28 72.5 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.351 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.565 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 14.5 mm -55.48 -59.24 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.67 -35.53 61.16 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.948 0.404 . . . . 0.0 110.46 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.12 -51.93 53.27 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.126 179.299 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.25 -35.69 61.37 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -63.0 -45.23 93.37 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.908 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -69.31 -42.51 75.32 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.302 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 42.9 mt -55.3 -55.66 28.94 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.423 0.63 . . . . 0.0 110.794 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -42.79 95.26 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.705 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.74 -45.44 82.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.025 0.44 . . . . 0.0 109.975 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.819 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.266 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -71.66 -11.66 60.95 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.869 ' HA ' HD23 ' A' ' 17' ' ' LEU . 1.4 mp -105.23 -47.24 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.152 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.454 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.13 -50.55 61.48 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.64 179.233 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 17' ' ' LEU . 47.8 p-10 -61.3 -48.03 83.23 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.988 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.869 HD23 ' HA ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -62.77 -45.14 94.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.227 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.555 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 18.5 tp -61.8 -49.68 75.36 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 178.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.47 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -58.79 -40.03 82.8 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.97 179.042 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -45.99 55.59 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.81 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 7.9 mm -56.77 -57.4 9.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.97 -36.45 62.9 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.976 0.417 . . . . 0.0 109.976 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -57.45 -63.12 1.34 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.931 178.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.85 77.8 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -62.72 -41.75 99.31 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.862 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -75.98 -45.78 33.05 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.473 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 18.8 mt -55.31 -39.47 69.96 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -81.51 -45.22 16.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.04 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.34 95.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.974 0.416 . . . . 0.0 110.31 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 26' ' ' ASN . 1.3 tt0 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.824 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -53.12 -34.92 58.83 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.504 0.668 . . . . 0.0 111.302 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.8 ' HA ' HD23 ' A' ' 17' ' ' LEU . 1.1 mp -84.03 -49.61 16.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.065 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -46.84 71.15 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.475 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -57.59 -48.32 79.7 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.643 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.8 HD23 ' HA ' ' A' ' 14' ' ' ILE . 0.3 OUTLIER -67.21 -42.37 84.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.34 179.123 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.511 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 49.1 mt -60.77 -46.74 89.32 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.65 0.262 . . . . 0.0 110.307 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.498 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.5 t80 -55.79 -43.83 77.18 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.017 179.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.56 -45.97 34.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.1 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.574 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 9.4 mm -51.22 -59.01 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.33 66.99 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.135 0.493 . . . . 0.0 109.936 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' A' ' 27' ' ' LEU . 1.3 tppt? -58.06 -61.63 2.41 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.823 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.715 ' HA ' HD23 ' A' ' 27' ' ' LEU . . . -68.94 -37.54 78.94 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -60.9 -46.08 92.04 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.486 0.184 . . . . 0.0 110.673 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -43.04 66.05 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.059 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.715 HD23 ' HA ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -59.51 -53.8 53.88 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.021 0.438 . . . . 0.0 111.754 179.326 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.487 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -67.79 -41.28 83.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.724 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.76 92.62 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.723 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -57.33 -29.61 64.12 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.162 0.506 . . . . 0.0 111.779 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -89.55 -48.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.317 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -49.67 68.85 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.367 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -57.34 -46.06 83.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.957 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.88 -54.48 44.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.934 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.0 mt -52.25 -47.01 66.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.38 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -44.59 68.32 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.506 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.447 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -74.76 -43.9 52.48 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.174 179.003 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.566 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 21.4 mm -48.83 -59.37 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.89 -48.02 70.52 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -49.98 -51.37 42.09 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.27 178.613 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.468 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -77.56 -37.73 50.05 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.453 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -58.77 -43.46 90.4 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.429 179.338 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -37.63 83.19 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.412 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 24' ' ' ALA . 23.7 mt -59.67 -60.29 4.07 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.265 0.555 . . . . 0.0 111.145 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -41.24 90.81 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.654 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.98 85.38 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.576 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.044 179.193 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 120.601 0.239 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -56.25 -32.71 64.74 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.326 0.584 . . . . 0.0 111.326 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -86.4 -43.62 16.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.891 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -55.98 -51.2 68.55 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.416 178.798 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.63 -44.95 81.73 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.04 0.448 . . . . 0.0 110.358 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.69 -54.37 36.6 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.039 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.5 mt -53.35 -47.64 69.2 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.261 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 15' ' ' MET . 0.1 OUTLIER -55.51 -42.91 75.14 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.86 179.048 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.422 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -74.73 -46.29 38.47 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.911 179.698 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.553 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 27.9 mm -53.8 -58.1 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.08 -51.1 59.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 2.7 mtpt -44.92 -61.47 1.6 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.103 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.583 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -65.84 -39.29 90.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.4 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -62.59 -47.43 83.82 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.985 179.778 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.59 -33.12 75.16 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.269 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 24' ' ' ALA . 26.0 mt -64.89 -44.02 91.02 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.19 0.519 . . . . 0.0 110.973 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.84 -39.71 26.08 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.252 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.85 -33.7 73.46 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.99 0.424 . . . . 0.0 110.075 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 . . . . . 0 CA--C 1.532 0.27 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.381 179.085 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.349 0 CA-C-O 120.439 0.161 . . . . 0.0 111.406 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -53.44 -43.29 67.92 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.464 0.649 . . . . 0.0 111.289 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 mp -73.74 -46.61 46.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.321 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -50.56 67.99 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.309 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -47.38 78.66 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.062 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.9 mt -59.51 -54.43 46.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.259 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HA ' HD12 ' A' ' 21' ' ' ILE . 80.9 mt -54.45 -47.5 72.82 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.198 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -44.46 74.4 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.171 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.56 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -71.21 -41.73 69.87 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.922 179.355 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.571 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 64.4 mt -54.39 -59.06 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.05 -42.37 69.16 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 7.0 mtpt -49.53 -64.12 0.9 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.314 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.35 -40.67 81.43 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -59.12 -34.75 72.39 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 111.387 0.143 . . . . 0.0 111.387 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -92.05 -42.72 9.8 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.48 -179.68 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 22.7 mt -45.44 -54.77 6.92 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.474 0.654 . . . . 0.0 110.901 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -40.32 65.8 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.782 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.9 -22.47 65.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.694 0.283 . . . . 0.0 111.453 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -178.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.482 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -55.16 -32.79 62.4 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.235 0.541 . . . . 0.0 111.658 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 mt -87.99 -46.32 15.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.01 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -51.53 46.74 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.466 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -56.19 -46.38 79.44 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.008 0.432 . . . . 0.0 110.16 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.6 mt -60.48 -53.78 53.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.101 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.8 mt -54.87 -48.35 73.06 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.239 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.472 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -56.84 -42.29 79.43 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.442 178.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -46.04 63.13 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.557 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.494 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 69.3 mt -53.96 -59.34 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.38 -34.72 69.14 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.993 0.425 . . . . 0.0 110.347 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -64.55 -46.88 80.93 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.495 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.05 -39.29 26.01 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -62.46 -40.76 97.68 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.425 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -67.5 -42.35 83.01 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.454 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.59 -52.38 65.64 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.545 0.688 . . . . 0.0 110.509 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -45.44 88.32 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.867 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.86 -31.13 69.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.619 0.247 . . . . 0.0 111.333 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -59.62 -21.61 60.66 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.869 0.366 . . . . 0.0 111.93 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 mp -97.54 -48.49 12.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.201 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.67 -52.04 61.25 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -56.8 -41.47 77.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.162 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.418 ' O ' HG12 ' A' ' 21' ' ' ILE . 23.7 mt -65.21 -54.23 32.59 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.281 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.9 mt -51.48 -50.36 60.01 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.57 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.7 t80 -56.78 -42.28 79.16 Favored 'General case' 0 N--CA 1.461 0.081 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.446 178.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.15 -48.55 62.02 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.311 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.542 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 31.7 mm -53.71 -55.4 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.501 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -55.06 -47.33 74.97 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -50.88 -56.4 12.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.962 178.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.673 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -68.32 -43.37 77.71 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.683 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -59.32 -47.3 85.92 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.802 0.334 . . . . 0.0 110.551 179.483 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.501 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -59.66 -41.05 89.73 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.463 179.298 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 24' ' ' ALA . 19.9 mt -57.36 -47.95 80.28 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.201 0.524 . . . . 0.0 110.788 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -41.29 55.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.732 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.31 -35.07 76.36 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.022 0.439 . . . . 0.0 110.38 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.56 179.472 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.308 0 CA-C-O 120.292 0.092 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.83 -6.72 40.1 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -104.82 -47.18 9.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -50.52 68.42 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.622 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 17' ' ' LEU . 44.3 p-10 -57.34 -44.01 83.91 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.499 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 39.5 mt -66.08 -52.72 46.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.251 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.9 mt -53.63 -49.87 66.95 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.855 0.36 . . . . 0.0 110.336 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -55.76 -42.36 75.33 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.641 178.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.409 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -73.1 -46.53 50.78 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.604 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.532 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 24.0 mm -52.04 -56.56 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -54.26 -46.53 72.66 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 2.5 tttm -50.01 -59.1 4.21 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.896 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.95 -42.55 80.79 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.026 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -60.58 -45.22 94.75 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.789 0.328 . . . . 0.0 110.616 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.534 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -61.04 -41.52 96.73 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.042 178.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.78 -65.95 0.58 Allowed 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.256 0.55 . . . . 0.0 111.006 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -34.7 59.99 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.048 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.76 -49.67 29.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.819 0.342 . . . . 0.0 110.359 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.224 -0.246 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.133 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 111.446 0.165 . . . . 0.0 111.446 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -52.9 -52.48 57.5 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.575 0.702 . . . . 0.0 110.577 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.27 -49.12 85.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.33 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -50.3 69.05 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.41 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -58.03 -46.37 85.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.015 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.46 -50.7 71.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.191 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.6 mt -55.27 -47.61 75.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.458 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -44.25 75.36 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.326 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -44.11 70.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 16.9 mm -55.37 -56.93 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.08 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.16 -37.23 61.68 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.039 0.447 . . . . 0.0 109.932 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.4 tmtt? -61.27 -55.55 30.66 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.035 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.13 -36.8 66.76 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.718 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -61.55 -44.19 97.49 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.784 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -69.12 -42.96 75.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.929 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 76.0 mt -57.01 -49.45 75.75 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.458 0.646 . . . . 0.0 110.901 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -31.92 63.19 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.669 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.05 -48.92 64.31 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.28 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.361 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.425 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -67.94 -10.19 51.33 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -100.75 -44.74 11.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -54.0 41.51 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -59.46 -44.69 92.92 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.267 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' A' ' 17' ' ' LEU . 17.8 mt -59.77 -50.82 72.32 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.044 178.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.0 mt -57.0 -48.03 79.42 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -56.88 -43.98 81.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.972 178.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -45.18 70.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.492 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 51.7 mt -53.96 -58.73 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.06 -36.48 60.66 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.995 0.426 . . . . 0.0 110.297 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -61.92 -54.37 42.87 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.409 179.349 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.45 -35.52 60.9 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.67 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -62.93 -42.72 99.89 Favored 'General case' 0 N--CA 1.458 -0.073 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.968 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -71.31 -36.35 71.58 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.917 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.448 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 85.7 mt -65.22 -49.06 71.13 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.376 0.607 . . . . 0.0 111.021 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.76 -36.58 73.16 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.974 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.38 -46.07 77.93 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.875 0.369 . . . . 0.0 110.204 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 2.4 pt20 . . . . . 0 C--O 1.234 0.273 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.392 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -67.5 -17.07 64.53 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -101.62 -48.08 11.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.119 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.484 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.08 -52.49 50.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.621 178.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -56.56 -44.69 81.2 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.92 0.39 . . . . 0.0 110.484 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.466 ' O ' HG12 ' A' ' 21' ' ' ILE . 45.8 mt -67.74 -54.53 18.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.657 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.0 tp -53.19 -48.39 68.09 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.746 0.308 . . . . 0.0 110.445 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 15' ' ' MET . 0.5 OUTLIER -57.54 -41.69 81.43 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.449 178.749 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.54 -47.5 60.04 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.368 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.553 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 35.1 mm -54.73 -55.7 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.532 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -53.97 -45.61 71.4 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -50.64 -61.79 1.99 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.047 178.712 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.617 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -65.5 -41.34 93.34 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.812 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -61.2 -47.45 86.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.653 0.264 . . . . 0.0 110.636 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.532 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -58.97 -43.24 91.33 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.607 179.415 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 24' ' ' ALA . 18.6 mt -58.0 -54.26 48.97 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.135 0.493 . . . . 0.0 111.143 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -70.93 -38.39 72.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.812 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.4 95.4 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 120.936 0.398 . . . . 0.0 110.449 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.744 179.349 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.462 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -62.71 -21.37 65.73 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.85 -45.74 11.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.194 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -52.25 46.76 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.046 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 3.7 p30 -58.83 -43.39 90.66 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.775 0.321 . . . . 0.0 110.586 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.0 -48.16 74.96 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.37 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.5 mt -57.05 -50.19 73.5 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.336 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.528 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -58.82 -41.24 86.38 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.66 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -69.93 -48.47 58.34 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.54 179.581 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 16.9 mm -54.67 -57.54 6.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.42 -36.73 66.79 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.325 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 3.9 mmtt -63.12 -47.47 82.66 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.651 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.561 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -81.87 -34.99 29.77 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -65.69 -41.22 92.65 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.199 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -64.93 -39.21 93.16 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.538 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 24' ' ' ALA . 30.1 mt -51.92 -57.37 9.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.334 0.588 . . . . 0.0 111.951 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 mtm105 -74.5 -30.85 61.98 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.962 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.59 -44.04 83.27 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.733 0.301 . . . . 0.0 110.592 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 27' ' ' LEU . 2.2 pt20 . . . . . 0 N--CA 1.465 0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.941 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.364 0 CA-C-O 120.584 0.23 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -54.95 -49.24 71.84 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.627 0.727 . . . . 0.0 110.779 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mt -61.78 -49.02 85.98 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.121 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -48.21 77.25 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.092 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -56.85 -48.91 77.01 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.015 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.54 -50.51 72.37 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.16 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.4 tp -54.91 -47.8 73.9 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.078 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.3 t80 -52.59 -45.88 66.7 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.384 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -45.22 67.44 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.316 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.542 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 19.1 mm -54.81 -56.85 8.57 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.08 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.84 -37.3 68.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 110.198 178.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -64.1 -44.93 90.82 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.216 179.317 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.28 -37.93 27.67 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.636 0.255 . . . . 0.0 111.53 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -61.57 -44.2 97.45 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.122 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -67.84 -42.86 80.77 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.455 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 30.4 mt -55.07 -57.33 12.14 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.299 0.571 . . . . 0.0 111.331 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -41.53 99.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.74 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.28 94.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.952 0.405 . . . . 0.0 109.911 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.714 179.653 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -63.51 -25.01 68.06 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.07 0.462 . . . . 0.0 111.997 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.2 mt -101.09 -46.57 11.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.134 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.92 -49.16 66.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.472 178.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 12' ' ' THR . 5.6 t-20 -54.95 -47.33 74.64 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.952 0.406 . . . . 0.0 110.157 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.11 -50.83 62.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.198 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -49.49 72.53 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.309 178.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' HB2' ' O ' ' A' ' 15' ' ' MET . 0.6 OUTLIER -58.17 -40.85 82.49 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 179.02 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -46.04 56.08 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.549 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 17.1 mm -53.98 -61.5 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.88 -36.77 59.68 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.049 0.452 . . . . 0.0 109.972 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.1 mtpt -58.94 -58.49 8.41 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.131 179.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.84 -36.1 67.39 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -64.03 -43.1 96.61 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.829 -0.169 . . . . 0.0 111.192 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -69.22 -42.3 75.9 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.745 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 66.4 mt -58.25 -55.69 31.66 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.35 0.595 . . . . 0.0 110.512 178.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -39.47 88.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.221 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.93 -44.32 77.11 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.902 0.382 . . . . 0.0 110.182 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.925 179.734 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 120.654 0.264 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -56.97 -53.63 55.86 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.74 0.781 . . . . 0.0 110.692 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.455 ' HA ' ' CG ' ' A' ' 17' ' ' LEU . 2.8 mt -66.18 -44.09 91.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 114.244 -1.344 . . . . 0.0 110.361 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -49.63 68.13 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.669 0.271 . . . . 0.0 110.399 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.35 -51.24 70.64 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 18' ' ' LEU . 3.0 pp -67.35 -43.86 80.44 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.034 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 17' ' ' LEU . 15.1 tp -55.85 -45.54 78.43 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -48.87 -48.97 41.62 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.827 178.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.64 -44.59 56.53 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.948 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.547 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 10.9 mm -48.92 -56.7 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.05 -38.36 73.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.013 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -62.81 -46.66 86.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.009 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.81 -37.84 39.73 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.688 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -61.68 -44.31 97.19 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.289 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -64.97 -41.25 95.62 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.622 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.449 ' HA ' ' HG2' ' A' ' 30' ' ' GLN . 81.9 mt -59.05 -56.06 27.08 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.501 0.667 . . . . 0.0 110.747 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -40.25 82.81 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.154 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.63 -44.87 66.3 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.024 0.44 . . . . 0.0 110.706 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' HG2' ' HA ' ' A' ' 27' ' ' LEU . 7.5 pt20 . . . . . 0 C--N 1.327 -0.372 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.497 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -72.39 -6.27 42.26 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mt -112.47 -45.54 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -47.43 65.89 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.367 178.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 17' ' ' LEU . 39.3 p-10 -59.92 -46.73 88.42 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.206 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.407 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 54.3 mt -59.93 -51.35 70.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.092 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 mt -54.5 -51.13 66.07 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.268 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.7 t80 -56.41 -42.33 77.81 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.148 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -68.92 -47.4 65.85 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.25 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.501 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 13.3 mm -53.21 -57.31 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.66 -36.85 65.03 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.017 0.437 . . . . 0.0 110.155 177.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -63.61 -43.98 95.3 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.67 179.47 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . . . -84.08 -37.58 21.88 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.141 0.275 . . . . 0.0 111.123 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -57.77 -44.42 86.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.276 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -76.05 -41.0 52.09 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.528 ' HB3' ' O ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -61.72 -16.67 51.19 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.804 178.726 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.09 -46.46 3.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.643 0.259 . . . . 0.0 110.711 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.16 -26.23 58.93 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 . . . . . 0 CA--C 1.529 0.141 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.312 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 120.47 0.176 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.456 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 36.4 m -59.15 90.7 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.093 0.473 . . . . 0.0 111.565 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 44.92 39.79 3.9 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.474 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.7 t 77.54 -3.74 2.38 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -102.6 48.55 0.86 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.484 179.116 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.35 74.99 1.28 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.712 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 10' ' ' VAL . 7.0 p -128.92 58.2 35.12 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-O 121.478 0.656 . . . . 0.0 111.812 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.496 ' HD2' ' HB ' ' A' ' 14' ' ' ILE . 61.2 Cg_endo -71.61 165.54 32.2 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.725 2.283 . . . . 0.0 112.488 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.37 -42.07 30.61 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.897 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -66.88 -23.48 66.01 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.021 0.438 . . . . 0.0 111.794 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.496 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 1.9 mt -97.35 -45.78 12.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.23 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.503 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -51.1 -53.39 34.58 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.54 179.091 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -55.61 -46.63 77.31 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.874 0.369 . . . . 0.0 110.498 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.6 mt -63.42 -52.34 61.95 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.024 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -47.88 77.49 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.879 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.503 ' HB2' ' O ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -57.38 -41.66 80.65 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.587 178.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.97 -47.05 61.08 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.403 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.511 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 12.4 mm -54.62 -57.92 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.53 -36.92 64.79 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.994 0.426 . . . . 0.0 110.155 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 2.3 tmtt? -61.75 -57.56 11.43 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.973 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -36.18 73.67 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -65.73 -45.53 82.33 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 121.377 -0.129 . . . . 0.0 111.056 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -68.74 -39.89 80.11 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.151 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 32.3 mt -54.61 -55.27 31.2 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.475 0.655 . . . . 0.0 110.402 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -28.01 66.36 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.609 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.675 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -69.47 -49.63 52.99 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 120.882 0.372 . . . . 0.0 110.317 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.555 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -81.02 -1.76 45.25 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.813 179.322 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.97 -52.49 2.94 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.193 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.32 -16.25 31.54 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -113.44 2.3 15.37 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.555 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -92.2 -55.26 3.49 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.782 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.83 9.52 30.93 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.557 ' CE1' HD23 ' A' ' 37' ' ' LEU . 19.2 p80 44.94 24.31 0.11 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.557 HD23 ' CE1' ' A' ' 36' ' ' HIS . 1.9 pp -171.62 22.4 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.724 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -93.89 -3.32 51.98 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.664 0.269 . . . . 0.0 111.35 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.08 40.18 3.77 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -107.16 -55.83 2.28 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.457 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.6 pt . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.993 -1.003 . . . . 0.0 112.463 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.455 ' CD1' HD12 ' A' ' 6' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 120.47 0.176 . . . . 0.0 111.387 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.735 HG21 HD22 ' A' ' 18' ' ' LEU . 10.2 t -76.5 75.57 3.23 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.384 0.611 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.455 HD12 ' CD1' ' A' ' 4' ' ' PHE . 3.1 mt -130.64 172.58 11.79 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.065 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.7 m 60.31 43.22 13.88 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.669 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.47 45.8 4.62 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.936 0.398 . . . . 0.0 111.788 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -127.83 79.96 1.93 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.495 0.664 . . . . 0.0 110.655 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 10' ' ' VAL . 9.0 p -129.45 55.09 16.47 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.668 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.475 ' HD2' ' HB ' ' A' ' 14' ' ' ILE . 72.7 Cg_endo -75.5 167.33 26.8 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.805 2.336 . . . . 0.0 112.623 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -48.77 -52.16 25.34 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.634 0.254 . . . . 0.0 111.439 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -51.64 -38.7 55.97 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.487 0.66 . . . . 0.0 111.343 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.475 ' HB ' ' HD2' ' A' ' 11' ' ' PRO . 0.9 OUTLIER -82.55 -46.25 19.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.215 179.01 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.522 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.61 -47.82 66.71 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.226 178.818 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -54.67 -51.79 64.38 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.181 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 18' ' ' LEU . 2.9 pp -70.31 -44.06 69.07 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.735 HD22 HG21 ' A' ' 5' ' ' THR . 14.2 tp -58.2 -49.06 78.36 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.403 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 15' ' ' MET . 1.2 t80 -56.67 -41.8 77.89 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.691 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -47.8 31.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.098 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 26.0 mt -51.49 -59.76 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.83 -37.82 66.63 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.397 178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -60.45 -51.14 70.74 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.391 179.479 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.586 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -77.45 -36.5 52.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.475 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -63.61 -45.28 91.04 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.274 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -65.18 -39.96 93.62 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 24' ' ' ALA . 44.6 mt -53.12 -55.17 26.07 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.333 0.587 . . . . 0.0 111.219 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.65 -28.15 65.64 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.861 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.27 -50.98 34.03 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 120.981 0.42 . . . . 0.0 109.926 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -25.26 62.36 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.642 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.11 -52.06 7.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.766 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.39 81.91 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.19 -53.97 21.2 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.443 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -60.1 -40.67 90.46 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.978 -179.559 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.23 -25.43 61.67 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.971 0.415 . . . . 0.0 111.986 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -81.03 -51.92 7.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.056 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' CD2' ' HA ' ' A' ' 34' ' ' ASN . 1.8 pp -69.84 -30.88 68.48 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.808 0.337 . . . . 0.0 111.68 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.8 ttm -74.06 -24.45 59.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.201 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.96 32.83 4.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.044 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -68.43 -38.26 81.02 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.682 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.6 mm . . . . . 0 C--O 1.252 1.195 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.909 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.407 ' O ' ' HB ' ' A' ' 5' ' ' THR . 45.4 m-85 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 120.185 0.041 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 4' ' ' PHE . 20.4 m 74.17 136.06 0.05 Allowed 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.4 0.437 . . . . 0.0 111.236 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.2 mt -109.5 177.46 4.73 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 m -160.31 60.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.034 0.445 . . . . 0.0 111.218 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp 59.4 36.64 23.3 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.421 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -90.31 62.17 5.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.76 0.791 . . . . 0.0 110.769 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.506 ' O ' HG12 ' A' ' 10' ' ' VAL . 25.0 t -114.95 89.32 19.2 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.457 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.509 ' HG2' ' HB ' ' A' ' 14' ' ' ILE . 95.1 Cg_endo -84.84 157.12 11.77 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.75 2.3 . . . . 0.0 112.864 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.85 -46.99 68.08 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -53.8 -27.63 30.42 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.821 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.509 ' HB ' ' HG2' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -90.5 -46.21 14.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.094 179.022 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -50.86 69.71 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.552 179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -55.71 -41.67 74.15 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.323 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.7 mt -69.03 -54.22 16.34 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.138 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 21' ' ' ILE . 48.3 mt -52.55 -47.13 66.97 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.655 179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -56.39 -43.07 78.92 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.565 178.839 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.93 -45.58 41.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.926 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.569 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 35.2 mt -49.08 -61.12 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.43 ' O ' ' ND2' ' A' ' 26' ' ' ASN . . . -54.11 -39.61 66.54 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 177.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -56.87 -55.28 36.42 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.3 179.048 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.472 ' HA ' HD23 ' A' ' 27' ' ' LEU . . . -74.97 -36.57 62.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.252 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -56.46 -45.4 80.89 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.303 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 22' ' ' ALA . 7.3 p30 -75.28 -42.39 54.99 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.127 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -56.79 -52.93 63.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.003 0.43 . . . . 0.0 111.377 178.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -66.1 -37.65 86.28 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.276 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.801 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -70.07 -42.1 73.24 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.23 0.538 . . . . 0.0 110.696 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.425 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 1.6 tp60 -78.45 -17.95 55.59 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.233 -0.587 . . . . 0.0 112.091 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.72 -49.08 4.97 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.595 0.236 . . . . 0.0 111.437 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.08 -4.13 36.52 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -124.5 -5.75 7.63 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.425 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 8.9 t-20 -86.76 -64.85 1.08 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.97 5.21 30.16 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.414 ' CD2' ' C ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -108.44 -63.59 1.32 Allowed 'General case' 0 CA--C 1.537 0.444 0 O-C-N 122.393 -0.192 . . . . 0.0 111.298 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mt -53.95 -30.24 45.83 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.948 0.404 . . . . 0.0 111.764 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.5 ttm -58.45 -22.42 54.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.836 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.6 12.67 32.75 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.707 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -133.47 -54.68 0.9 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.811 -0.177 . . . . 0.0 111.09 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.8 mm . . . . . 0 C--O 1.252 1.228 0 CA-C-O 118.647 -0.692 . . . . 0.0 111.468 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' O ' HG22 ' A' ' 5' ' ' THR . 5.1 p90 . . . . . 0 N--CA 1.495 1.785 0 N-CA-C 111.171 0.063 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER 73.49 135.81 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.475 0.485 . . . . 0.0 111.387 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mt -110.83 51.22 0.78 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.531 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.0 t 58.96 47.83 11.72 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.989 0.424 . . . . 0.0 111.191 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mt -122.06 56.68 1.08 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.632 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -160.72 95.42 1.09 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.397 0.618 . . . . 0.0 111.059 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.44 ' O ' HG12 ' A' ' 10' ' ' VAL . 46.2 t -123.3 62.48 21.75 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.469 ' HG2' ' HB ' ' A' ' 14' ' ' ILE . 52.6 Cg_endo -68.99 166.27 27.21 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.587 2.191 . . . . 0.0 112.427 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.53 -48.64 27.41 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.392 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -57.08 -53.94 52.39 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.59 0.709 . . . . 0.0 110.859 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.469 ' HB ' ' HG2' ' A' ' 11' ' ' PRO . 2.0 mt -62.14 -47.73 91.78 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 114.694 -1.139 . . . . 0.0 110.691 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -52.75 58.97 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.703 0.287 . . . . 0.0 110.266 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -57.49 -46.69 83.44 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.504 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.84 -51.68 63.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.763 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 18' ' ' LEU . 21.5 mt -56.25 -46.88 79.45 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.631 0.253 . . . . 0.0 110.376 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.475 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -56.13 -43.87 78.61 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.331 178.653 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -45.28 72.5 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.351 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.565 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 14.5 mm -55.48 -59.24 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.67 -35.53 61.16 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.948 0.404 . . . . 0.0 110.46 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.12 -51.93 53.27 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.126 179.299 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.25 -35.69 61.37 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -63.0 -45.23 93.37 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.908 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -69.31 -42.51 75.32 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.302 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 42.9 mt -55.3 -55.66 28.94 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.423 0.63 . . . . 0.0 110.794 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -42.79 95.26 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.705 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.74 -45.44 82.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.025 0.44 . . . . 0.0 109.975 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -67.58 -38.86 84.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.819 179.595 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.17 -52.73 10.24 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.256 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' HIS . . . -59.83 -41.42 91.29 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.732 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.18 -44.61 65.11 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.995 0.426 . . . . 0.0 111.734 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 5.3 t30 -68.62 -47.09 67.53 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.328 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.4 38.8 0.8 Allowed 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.492 ' HB3' HD23 ' A' ' 37' ' ' LEU . 5.9 t-80 -112.72 -56.67 2.38 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.727 0.299 . . . . 0.0 110.99 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 36' ' ' HIS . 0.4 OUTLIER -110.89 -33.85 6.4 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.66 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.1 ttp -53.06 -31.47 41.77 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.106 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.91 24.95 12.17 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.317 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.565 ' HB3' HD12 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -124.36 -52.83 1.72 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.373 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.565 HD12 ' HB3' ' A' ' 40' ' ' GLN . 2.9 mp . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.077 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.5 ' O ' ' HB ' ' A' ' 5' ' ' THR . 1.4 p90 . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 111.134 0.05 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.707 HG23 ' HG3' ' A' ' 11' ' ' PRO . 98.9 m 73.28 130.8 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.543 0.527 . . . . 0.0 111.492 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 7' ' ' SER . 1.6 pp -129.6 134.81 47.92 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.207 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.418 ' HB2' HD12 ' A' ' 6' ' ' LEU . 0.6 OUTLIER 50.85 21.38 0.94 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.052 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 46.24 38.79 5.39 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.984 0.421 . . . . 0.0 111.416 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.66 56.01 0.17 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.779 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 10' ' ' VAL . 12.7 p 34.6 60.22 2.22 Favored Pre-proline 0 N--CA 1.472 0.643 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.566 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.756 ' HG2' HD13 ' A' ' 14' ' ' ILE . 59.2 Cg_endo -70.3 166.64 27.61 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.522 2.148 . . . . 0.0 112.657 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -40.17 63.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.554 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -71.66 -11.66 60.95 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.869 ' HA ' HD23 ' A' ' 17' ' ' LEU . 1.4 mp -105.23 -47.24 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.152 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.454 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.13 -50.55 61.48 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.64 179.233 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 17' ' ' LEU . 47.8 p-10 -61.3 -48.03 83.23 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.988 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.869 HD23 ' HA ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -62.77 -45.14 94.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.227 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.555 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 18.5 tp -61.8 -49.68 75.36 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 178.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -58.79 -40.03 82.8 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.97 179.042 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -45.99 55.59 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.81 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 7.9 mm -56.77 -57.4 9.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.97 -36.45 62.9 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.976 0.417 . . . . 0.0 109.976 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -57.45 -63.12 1.34 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.931 178.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.85 77.8 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -62.72 -41.75 99.31 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.862 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -75.98 -45.78 33.05 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.473 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 18.8 mt -55.31 -39.47 69.96 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -81.51 -45.22 16.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.04 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.34 95.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.974 0.416 . . . . 0.0 110.31 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 1.3 tt0 -71.99 -31.16 65.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.824 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.79 -50.6 7.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.586 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.52 -34.02 76.87 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.3 -53.71 7.01 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 0.1 OUTLIER -59.72 -32.84 70.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.555 -179.458 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.73 0.48 26.6 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -129.44 -57.59 1.13 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mt -64.57 -46.01 84.59 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.221 0.534 . . . . 0.0 111.72 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -22.96 64.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.778 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.81 -0.3 42.83 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.93 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.441 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 2.0 tt0 -94.88 -48.97 5.78 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.197 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.441 ' HB ' ' O ' ' A' ' 40' ' ' GLN . 4.9 mt . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.028 -0.986 . . . . 0.0 111.198 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 120.438 0.161 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -154.72 115.14 3.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.057 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.02 62.39 1.14 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.22 0.533 . . . . 0.0 110.868 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.1 p -144.51 52.31 1.26 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.391 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -118.29 35.15 4.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.021 0.439 . . . . 0.0 111.634 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -92.79 62.77 3.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.336 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 10' ' ' VAL . 53.8 t 25.75 71.58 0.38 Allowed Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.708 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.407 ' HD2' HD13 ' A' ' 14' ' ' ILE . 72.3 Cg_endo -76.05 174.02 13.52 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.7 2.267 . . . . 0.0 113.086 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.66 -46.06 49.26 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.668 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -53.12 -34.92 58.83 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.504 0.668 . . . . 0.0 111.302 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.8 ' HA ' HD23 ' A' ' 17' ' ' LEU . 1.1 mp -84.03 -49.61 16.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.065 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -46.84 71.15 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.475 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -57.59 -48.32 79.7 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.643 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.8 HD23 ' HA ' ' A' ' 14' ' ' ILE . 0.3 OUTLIER -67.21 -42.37 84.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.34 179.123 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.511 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 49.1 mt -60.77 -46.74 89.32 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.65 0.262 . . . . 0.0 110.307 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.498 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.5 t80 -55.79 -43.83 77.18 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.017 179.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.56 -45.97 34.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.1 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.574 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 9.4 mm -51.22 -59.01 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.33 66.99 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.135 0.493 . . . . 0.0 109.936 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' A' ' 27' ' ' LEU . 1.3 tppt? -58.06 -61.63 2.41 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.823 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.715 ' HA ' HD23 ' A' ' 27' ' ' LEU . . . -68.94 -37.54 78.94 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -60.9 -46.08 92.04 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.486 0.184 . . . . 0.0 110.673 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -43.04 66.05 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.059 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.715 HD23 ' HA ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -59.51 -53.8 53.88 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.021 0.438 . . . . 0.0 111.754 179.326 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.487 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -67.79 -41.28 83.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.724 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.76 92.62 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -35.56 69.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.723 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.93 -52.66 9.02 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.133 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 36' ' ' HIS . . . -61.25 -43.53 98.72 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.844 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.416 ' HB1' ' CD2' ' A' ' 37' ' ' LEU . . . -64.76 -52.71 55.5 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.237 0.541 . . . . 0.0 111.664 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 38' ' ' MET . 3.9 t30 -60.79 -45.42 94.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.75 41.38 1.04 Allowed 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.44 ' HB2' ' O ' ' A' ' 32' ' ' ALA . 12.9 t-80 -161.43 -54.01 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.416 ' CD2' ' HB1' ' A' ' 33' ' ' ALA . 1.6 pp -83.93 -5.57 59.24 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -60.38 -20.79 60.88 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -145.05 51.98 1.22 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.949 0.404 . . . . 0.0 111.305 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.24 -37.66 10.91 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.782 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.022 -179.867 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.0 p90 . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 120.313 0.102 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.6 p 49.87 67.6 0.88 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.851 0.358 . . . . 0.0 111.458 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mt 65.88 -179.25 0.19 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.255 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.18 55.19 0.64 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 111.066 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.25 48.21 0.85 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.627 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t70 45.88 89.56 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.143 0.577 . . . . 0.0 112.371 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.749 HG23 HG22 ' A' ' 14' ' ' ILE . 7.5 p 39.89 76.49 0.49 Allowed Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.978 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.601 ' HG2' HD13 ' A' ' 14' ' ' ILE . 9.3 Cg_endo -51.08 155.76 5.83 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.177 2.585 . . . . 0.0 112.941 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -47.94 -49.92 28.73 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.696 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -57.33 -29.61 64.12 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.162 0.506 . . . . 0.0 111.779 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.749 HG22 HG23 ' A' ' 10' ' ' VAL . 1.3 mp -89.55 -48.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.317 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -49.67 68.85 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.367 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -57.34 -46.06 83.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.957 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.0 mt -60.88 -54.48 44.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.934 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.0 mt -52.25 -47.01 66.01 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.38 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -44.59 68.32 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.506 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.447 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -74.76 -43.9 52.48 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.174 179.003 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.566 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 21.4 mm -48.83 -59.37 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.89 -48.02 70.52 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -49.98 -51.37 42.09 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.27 178.613 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.468 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -77.56 -37.73 50.05 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.453 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -58.77 -43.46 90.4 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.429 179.338 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -37.63 83.19 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.412 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 24' ' ' ALA . 23.7 mt -59.67 -60.29 4.07 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.265 0.555 . . . . 0.0 111.145 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -41.24 90.81 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.654 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.98 85.38 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.576 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.42 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 1.3 tt0 -71.62 -39.88 70.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.044 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.56 -49.1 17.25 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.06 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.7 -14.66 61.7 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.67 -54.66 2.78 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.942 0.401 . . . . 0.0 111.621 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 3.5 t30 -66.55 -50.34 63.47 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.66 43.04 1.11 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.045 0.45 . . . . 0.0 111.322 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -148.73 -61.0 0.24 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.583 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.424 HD22 HG22 ' A' ' 41' ' ' ILE . 6.1 mt -77.89 -25.44 48.51 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 37.8 ttm -52.44 -25.96 11.42 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.12 7.88 43.61 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.887 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.85 -46.34 1.04 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.424 HG22 HD22 ' A' ' 37' ' ' LEU . 2.6 tp . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.559 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.45 ' HB2' ' CD2' ' A' ' 6' ' ' LEU . 83.3 m-85 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 120.7 0.286 . . . . 0.0 111.359 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 p -83.83 88.41 7.1 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.923 0.392 . . . . 0.0 111.103 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 4' ' ' PHE . 0.6 OUTLIER -144.93 60.43 1.31 Allowed 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.111 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.3 t -131.38 46.39 2.67 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.766 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.99 36.24 12.65 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.13 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.1 64.61 2.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 110.667 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 10' ' ' VAL . 9.2 p -118.34 85.22 24.9 Favored Pre-proline 0 CA--C 1.54 0.584 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.517 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.462 ' HG2' ' HB ' ' A' ' 14' ' ' ILE . 97.7 Cg_endo -78.87 156.08 26.96 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.538 2.159 . . . . 0.0 112.622 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.48 -43.35 45.09 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.187 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -56.25 -32.71 64.74 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.326 0.584 . . . . 0.0 111.326 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.462 ' HB ' ' HG2' ' A' ' 11' ' ' PRO . 1.3 mp -86.4 -43.62 16.29 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.891 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -55.98 -51.2 68.55 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.416 178.798 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.63 -44.95 81.73 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.04 0.448 . . . . 0.0 110.358 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.69 -54.37 36.6 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.039 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.5 mt -53.35 -47.64 69.2 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.261 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 15' ' ' MET . 0.1 OUTLIER -55.51 -42.91 75.14 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.86 179.048 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.422 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -74.73 -46.29 38.47 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.911 179.698 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.553 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 27.9 mm -53.8 -58.1 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.08 -51.1 59.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 2.7 mtpt -44.92 -61.47 1.6 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.103 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.583 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -65.84 -39.29 90.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.4 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -62.59 -47.43 83.82 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.985 179.778 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.59 -33.12 75.16 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.269 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 24' ' ' ALA . 26.0 mt -64.89 -44.02 91.02 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.19 0.519 . . . . 0.0 110.973 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.84 -39.71 26.08 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.252 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.612 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -60.85 -33.7 73.46 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.99 0.424 . . . . 0.0 110.075 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -104.4 29.64 5.92 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.381 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.52 -49.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.008 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.98 -15.99 34.97 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.946 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -98.71 -41.32 7.74 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -63.39 -43.01 98.79 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.04 -16.48 63.95 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -99.72 -53.29 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.206 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.5 mt -53.97 -23.01 11.66 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.01 0.23 51.41 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.63 35.84 0.5 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -142.28 -66.31 0.4 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.741 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 pt . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.524 -0.75 . . . . 0.0 112.636 -179.838 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 111.126 0.047 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 75.63 137.25 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.378 0.424 . . . . 0.0 111.201 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.7 mt 66.97 171.28 0.25 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.744 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.89 34.23 19.64 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.691 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.19 51.05 1.82 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.028 0.442 . . . . 0.0 111.201 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.413 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -142.39 86.5 1.96 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 121.095 0.474 . . . . 0.0 110.405 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.3 t -56.4 106.63 0.7 Allowed Pre-proline 0 N--CA 1.469 0.478 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.507 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.542 ' HG2' HD13 ' A' ' 14' ' ' ILE . 89.8 Cg_endo -87.08 157.44 8.46 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.872 2.382 . . . . 0.0 113.301 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -45.56 68.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.406 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -53.44 -43.29 67.92 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.464 0.649 . . . . 0.0 111.289 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.542 HD13 ' HG2' ' A' ' 11' ' ' PRO . 1.1 mp -73.74 -46.61 46.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.321 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -50.56 67.99 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.309 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -47.38 78.66 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.062 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.9 mt -59.51 -54.43 46.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.259 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HA ' HD12 ' A' ' 21' ' ' ILE . 80.9 mt -54.45 -47.5 72.82 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.198 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -44.46 74.4 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.171 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.56 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -71.21 -41.73 69.87 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.922 179.355 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.571 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 64.4 mt -54.39 -59.06 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.05 -42.37 69.16 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 7.0 mtpt -49.53 -64.12 0.9 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.314 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.35 -40.67 81.43 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -59.12 -34.75 72.39 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 111.387 0.143 . . . . 0.0 111.387 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -92.05 -42.72 9.8 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.48 -179.68 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 22.7 mt -45.44 -54.77 6.92 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.474 0.654 . . . . 0.0 110.901 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.517 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -72.85 -40.32 65.8 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.782 179.741 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.907 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -67.9 -22.47 65.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.694 0.283 . . . . 0.0 111.453 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -104.8 -33.88 8.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -178.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.0 -22.78 18.33 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 28' ' ' ARG . . . -110.35 -26.19 9.69 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.907 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -89.09 -20.3 24.49 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.617 -0.433 . . . . 0.0 112.152 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 38' ' ' MET . 24.7 p-10 -63.54 -49.43 73.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.678 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.41 -12.34 60.48 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.828 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.05 -52.4 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.2 -14.2 61.3 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.434 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -57.07 -22.26 37.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 111.91 179.566 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.69 41.77 3.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.55 -40.4 63.98 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.834 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.0 tt . . . . . 0 C--O 1.252 1.228 0 CA-C-O 118.346 -0.835 . . . . 0.0 111.325 -179.629 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.41 ' CE2' HG23 ' A' ' 5' ' ' THR . 39.8 t80 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 120.273 0.082 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.41 HG23 ' CE2' ' A' ' 4' ' ' PHE . 1.0 OUTLIER 49.04 74.04 0.2 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.896 0.379 . . . . 0.0 112.005 179.714 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.48 116.3 12.27 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.3 p -92.95 -5.03 51.67 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 55.84 41.68 29.84 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.682 0.277 . . . . 0.0 111.379 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.431 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 25.5 t0 45.77 79.5 0.05 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.195 0.521 . . . . 0.0 111.558 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.495 HG13 HG22 ' A' ' 14' ' ' ILE . 44.6 t -64.46 108.76 2.13 Favored Pre-proline 0 N--CA 1.467 0.411 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.751 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 9' ' ' ASP . 89.4 Cg_endo -80.45 158.15 22.42 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.865 2.377 . . . . 0.0 113.03 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.58 -45.62 57.38 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.599 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -55.16 -32.79 62.4 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.235 0.541 . . . . 0.0 111.658 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.495 HG22 HG13 ' A' ' 10' ' ' VAL . 4.9 mt -87.99 -46.32 15.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.01 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -51.53 46.74 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.466 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -56.19 -46.38 79.44 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.008 0.432 . . . . 0.0 110.16 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.6 mt -60.48 -53.78 53.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.101 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.8 mt -54.87 -48.35 73.06 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.239 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.472 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -56.84 -42.29 79.43 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.442 178.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -46.04 63.13 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.557 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.494 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 69.3 mt -53.96 -59.34 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.38 -34.72 69.14 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.993 0.425 . . . . 0.0 110.347 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -64.55 -46.88 80.93 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.495 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.05 -39.29 26.01 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -62.46 -40.76 97.68 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.425 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -67.5 -42.35 83.01 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.454 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.59 -52.38 65.64 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.545 0.688 . . . . 0.0 110.509 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -64.19 -45.44 88.32 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.867 179.764 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.576 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -68.86 -31.13 69.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.619 0.247 . . . . 0.0 111.333 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.4 -39.21 19.31 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.87 -41.72 20.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.14 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 28' ' ' ARG . . . -80.16 -11.82 59.71 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -106.04 -39.92 5.83 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 38' ' ' MET . 12.5 p-10 -59.89 -40.57 89.17 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.403 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.49 0.36 42.82 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.18 -52.28 2.68 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD13 ' HB1' ' A' ' 33' ' ' ALA . 7.2 mp -67.01 -16.0 64.09 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 34' ' ' ASN . 1.5 ttt -62.87 -15.54 55.15 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.22 45.41 2.77 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 120.919 0.39 . . . . 0.0 111.345 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -106.14 -46.73 4.0 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.948 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.0 tt . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.516 -0.754 . . . . 0.0 111.382 -179.443 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 120.454 0.169 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 t -165.74 134.67 3.23 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.737 0.303 . . . . 0.0 110.811 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pp -124.87 146.29 49.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.136 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -169.88 63.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.778 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mt 63.06 36.51 12.27 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.466 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.99 57.06 3.34 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.642 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 10' ' ' VAL . 14.9 p 40.72 58.29 8.13 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.572 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.471 ' HG2' HD13 ' A' ' 14' ' ' ILE . 72.8 Cg_endo -73.93 165.54 31.86 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.484 2.123 . . . . 0.0 112.64 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -46.63 46.49 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.672 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -59.62 -21.61 60.66 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.869 0.366 . . . . 0.0 111.93 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.471 HD13 ' HG2' ' A' ' 11' ' ' PRO . 1.2 mp -97.54 -48.49 12.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.201 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.67 -52.04 61.25 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -56.8 -41.47 77.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.162 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.418 ' O ' HG12 ' A' ' 21' ' ' ILE . 23.7 mt -65.21 -54.23 32.59 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.281 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.9 mt -51.48 -50.36 60.01 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.57 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.7 t80 -56.78 -42.28 79.16 Favored 'General case' 0 N--CA 1.461 0.081 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.446 178.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -69.15 -48.55 62.02 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.311 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.542 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 31.7 mm -53.71 -55.4 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.501 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -55.06 -47.33 74.97 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -50.88 -56.4 12.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.962 178.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.673 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -68.32 -43.37 77.71 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.683 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -59.32 -47.3 85.92 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.802 0.334 . . . . 0.0 110.551 179.483 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.501 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -59.66 -41.05 89.73 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.463 179.298 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 24' ' ' ALA . 19.9 mt -57.36 -47.95 80.28 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.201 0.524 . . . . 0.0 110.788 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -41.29 55.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.732 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.554 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -61.31 -35.07 76.36 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.022 0.439 . . . . 0.0 110.38 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -105.16 31.85 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.56 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.1 -48.05 0.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.14 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 36' ' ' HIS . . . -91.69 -6.11 52.59 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.298 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -108.45 -33.95 6.91 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -86.45 -53.72 4.83 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.761 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.61 -19.77 64.46 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 32' ' ' ALA . 2.1 t-80 -62.18 -41.62 98.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.865 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 pp -87.16 -36.55 17.99 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.982 0.42 . . . . 0.0 111.17 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.5 tpp -61.89 -34.03 75.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.48 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.35 15.36 19.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.767 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -112.89 -55.58 2.51 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.086 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.3 mm . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.407 -179.84 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 p90 . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 120.363 0.125 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.29 -155.38 0.49 Allowed 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 175.28 88.8 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.972 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.4 t -172.02 66.45 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.786 0.327 . . . . 0.0 111.46 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 mp 53.85 41.29 32.1 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.937 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.9 t0 40.63 82.07 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.68 0.752 . . . . 0.0 112.413 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.472 HG13 HG22 ' A' ' 14' ' ' ILE . 84.4 t -134.54 76.31 61.57 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.589 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.608 ' HD2' HD12 ' A' ' 14' ' ' ILE . 37.6 Cg_endo -65.8 162.9 32.76 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.612 2.208 . . . . 0.0 112.84 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -42.19 62.37 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.247 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.83 -6.72 40.1 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.608 HD12 ' HD2' ' A' ' 11' ' ' PRO . 0.9 OUTLIER -104.82 -47.18 9.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.538 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -50.52 68.42 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.622 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 17' ' ' LEU . 44.3 p-10 -57.34 -44.01 83.91 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.499 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 39.5 mt -66.08 -52.72 46.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.251 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.9 mt -53.63 -49.87 66.95 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.855 0.36 . . . . 0.0 110.336 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -55.76 -42.36 75.33 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.641 178.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.409 ' HA ' ' HB2' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -73.1 -46.53 50.78 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.604 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.532 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 24.0 mm -52.04 -56.56 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -54.26 -46.53 72.66 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 177.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 20' ' ' ASN . 2.5 tttm -50.01 -59.1 4.21 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.896 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.95 -42.55 80.79 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.026 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -60.58 -45.22 94.75 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.789 0.328 . . . . 0.0 110.616 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.534 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -61.04 -41.52 96.73 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.042 178.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.78 -65.95 0.58 Allowed 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.256 0.55 . . . . 0.0 111.006 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -34.7 59.99 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.048 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -72.76 -49.67 29.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.819 0.342 . . . . 0.0 110.359 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -72.74 -36.36 67.72 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.133 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.22 -50.75 44.45 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.28 -44.55 75.28 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.283 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -84.35 -10.18 57.8 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 30' ' ' GLN . 1.1 t30 -58.18 -51.04 71.38 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.204 0.526 . . . . 0.0 110.135 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.14 -1.57 36.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.41 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 37.7 t60 71.91 -47.45 0.66 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.254 0.622 . . . . 0.0 111.37 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -100.34 15.86 26.33 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.567 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -19.43 63.85 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.906 0.384 . . . . 0.0 111.546 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -118.73 38.19 3.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.954 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.767 ' HB3' HD13 ' A' ' 41' ' ' ILE . 3.3 tp60 -87.33 -41.91 13.28 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.793 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.767 HD13 ' HB3' ' A' ' 40' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.02 -0.99 . . . . 0.0 111.337 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' O ' ' HB ' ' A' ' 5' ' ' THR . 23.7 t80 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.331 0.11 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 57.2 m 71.84 97.44 0.07 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.435 0.459 . . . . 0.0 111.08 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 5' ' ' THR . 3.0 mp 69.12 170.11 0.3 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.775 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.92 21.72 12.73 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.362 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -106.59 36.71 2.53 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.414 0.626 . . . . 0.0 110.688 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.04 58.89 1.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.109 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 10' ' ' VAL . 14.6 p 42.39 58.3 10.67 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.115 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.527 ' HD2' HD12 ' A' ' 14' ' ' ILE . 59.8 Cg_endo -71.9 166.32 29.9 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.7 2.267 . . . . 0.0 113.241 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -46.84 48.84 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.446 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -52.9 -52.48 57.5 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.575 0.702 . . . . 0.0 110.577 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.527 HD12 ' HD2' ' A' ' 11' ' ' PRO . 1.0 OUTLIER -62.27 -49.12 85.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.33 178.696 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -50.3 69.05 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.41 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -58.03 -46.37 85.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.015 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.46 -50.7 71.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.191 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.6 mt -55.27 -47.61 75.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.458 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -44.25 75.36 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.326 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -44.11 70.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 16.9 mm -55.37 -56.93 9.1 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.08 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.16 -37.23 61.68 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.039 0.447 . . . . 0.0 109.932 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.4 tmtt? -61.27 -55.55 30.66 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.035 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.13 -36.8 66.76 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.718 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -61.55 -44.19 97.49 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.784 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -69.12 -42.96 75.35 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.929 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 76.0 mt -57.01 -49.45 75.75 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.458 0.646 . . . . 0.0 110.901 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -31.92 63.19 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.669 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.05 -48.92 64.31 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -25.96 66.23 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.361 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.03 -56.78 3.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.322 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.98 -30.64 71.75 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.353 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.62 -54.77 6.81 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.158 0.504 . . . . 0.0 111.828 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.05 -40.08 95.5 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.904 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.25 41.92 1.08 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.789 0.328 . . . . 0.0 111.69 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -104.3 -70.74 0.76 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.426 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mt -103.66 2.72 33.53 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.78 -3.04 58.8 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -143.06 43.44 1.56 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.97 0.414 . . . . 0.0 111.647 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.5 ' HB3' HD12 ' A' ' 41' ' ' ILE . 1.1 tt0 -107.75 -50.78 3.0 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.694 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 40' ' ' GLN . 2.0 mp . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.131 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.3 p90 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 120.197 0.046 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.7 m 61.92 76.74 0.36 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.697 0.284 . . . . 0.0 111.064 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 77.33 139.85 0.07 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.647 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.3 p -142.03 42.17 1.67 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.537 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 51.07 57.97 6.07 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.975 0.417 . . . . 0.0 111.933 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -146.57 88.83 1.79 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.501 0.667 . . . . 0.0 110.912 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.0 t -112.08 81.82 3.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.751 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.678 ' HG2' HD13 ' A' ' 14' ' ' ILE . 92.2 Cg_endo -80.47 161.83 22.28 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.732 2.288 . . . . 0.0 113.534 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -38.69 65.22 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.56 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' OD1' ' HB2' ' A' ' 11' ' ' PRO . 6.0 p-10 -67.94 -10.19 51.33 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.678 HD13 ' HG2' ' A' ' 11' ' ' PRO . 1.3 mp -100.75 -44.74 11.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -54.0 41.51 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -59.46 -44.69 92.92 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.267 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' A' ' 17' ' ' LEU . 17.8 mt -59.77 -50.82 72.32 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.044 178.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.0 mt -57.0 -48.03 79.42 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -56.88 -43.98 81.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.972 178.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -45.18 70.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.492 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 51.7 mt -53.96 -58.73 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.06 -36.48 60.66 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.995 0.426 . . . . 0.0 110.297 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -61.92 -54.37 42.87 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.409 179.349 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.45 -35.52 60.9 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.67 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -62.93 -42.72 99.89 Favored 'General case' 0 N--CA 1.458 -0.073 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.968 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -71.31 -36.35 71.58 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.917 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.448 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 85.7 mt -65.22 -49.06 71.13 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.376 0.607 . . . . 0.0 111.021 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.76 -36.58 73.16 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.974 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.38 -46.07 77.93 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 120.875 0.369 . . . . 0.0 110.204 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 2.4 pt20 -69.18 -32.71 72.2 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.392 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.19 -54.34 6.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.382 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 36' ' ' HIS . . . -61.8 -18.13 58.77 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.009 179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.34 -60.58 1.85 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.261 0.553 . . . . 0.0 111.822 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.23 -39.34 93.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.767 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.93 34.9 0.84 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.551 ' HB2' ' O ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -144.84 -71.48 0.27 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.339 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -62.69 -40.33 96.78 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.003 0.43 . . . . 0.0 111.687 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.0 ttt -63.4 -25.26 68.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.684 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.04 20.57 18.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.317 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.801 ' O ' HG22 ' A' ' 41' ' ' ILE . 2.5 tt0 -129.87 -57.77 1.1 Allowed 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.342 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.801 HG22 ' O ' ' A' ' 40' ' ' GLN . 1.9 tt . . . . . 0 C--O 1.252 1.193 0 O-C-N 123.717 0.636 . . . . 0.0 112.318 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.7 p90 . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 120.445 0.164 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 t -165.1 126.68 2.06 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.726 0.298 . . . . 0.0 111.192 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pp -168.37 145.92 4.09 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.1 t -157.82 57.66 0.48 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.842 0.353 . . . . 0.0 111.391 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.98 43.65 0.97 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.39 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -149.72 91.12 1.77 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.524 0.678 . . . . 0.0 110.822 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.459 HG12 ' CG ' ' A' ' 15' ' ' MET . 33.6 t -139.76 62.07 21.22 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.95 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.617 ' HG2' HD13 ' A' ' 14' ' ' ILE . 57.9 Cg_endo -70.7 167.04 26.81 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.638 2.226 . . . . 0.0 112.689 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -48.79 -45.3 39.92 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.73 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -67.5 -17.07 64.53 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.617 HD13 ' HG2' ' A' ' 11' ' ' PRO . 1.4 mp -101.62 -48.08 11.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.119 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.484 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -52.08 -52.49 50.88 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.621 178.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -56.56 -44.69 81.2 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.92 0.39 . . . . 0.0 110.484 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' O ' HG12 ' A' ' 21' ' ' ILE . 45.8 mt -67.74 -54.53 18.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.657 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.0 tp -53.19 -48.39 68.09 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.746 0.308 . . . . 0.0 110.445 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 15' ' ' MET . 0.5 OUTLIER -57.54 -41.69 81.43 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.449 178.749 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.54 -47.5 60.04 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.368 179.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.553 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 35.1 mm -54.73 -55.7 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.532 ' O ' ' HB3' ' A' ' 26' ' ' ASN . . . -53.97 -45.61 71.4 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -50.64 -61.79 1.99 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.047 178.712 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.617 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -65.5 -41.34 93.34 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.812 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -61.2 -47.45 86.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.653 0.264 . . . . 0.0 110.636 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.532 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -58.97 -43.24 91.33 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.607 179.415 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 24' ' ' ALA . 18.6 mt -58.0 -54.26 48.97 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.135 0.493 . . . . 0.0 111.143 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -70.93 -38.39 72.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.812 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.738 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -64.63 -40.4 95.4 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 120.936 0.398 . . . . 0.0 110.449 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' A' ' 34' ' ' ASN . 11.7 mm-40 -93.97 12.72 25.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.744 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.38 -52.49 2.48 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.33 -23.94 24.45 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.748 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -109.23 6.01 24.28 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 9.4 t-20 -78.79 -62.91 1.54 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.786 0.327 . . . . 0.0 110.774 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.17 -3.88 53.15 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.333 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 70.41 -44.52 0.57 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.263 0.625 . . . . 0.0 112.029 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 pp -101.14 14.95 30.33 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -10.27 57.66 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -126.0 43.7 3.02 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.053 0.454 . . . . 0.0 110.793 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.66 34.52 3.62 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.687 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.3 tt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.034 -0.984 . . . . 0.0 111.2 179.798 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 t80 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 120.226 0.06 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.4 m 61.63 83.7 0.15 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.848 0.356 . . . . 0.0 111.432 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.719 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -122.16 132.95 54.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.941 0.401 . . . . 0.0 111.063 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.7 p -128.54 35.7 4.35 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.275 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.62 38.87 2.13 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.016 0.436 . . . . 0.0 111.011 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -169.35 99.7 0.34 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.396 0.617 . . . . 0.0 110.76 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.489 HG12 ' CG ' ' A' ' 15' ' ' MET . 21.9 t -139.8 60.89 16.8 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.794 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.451 ' HG2' ' HB ' ' A' ' 14' ' ' ILE . 57.4 Cg_endo -71.14 162.41 42.68 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.621 2.214 . . . . 0.0 112.414 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.41 -47.59 26.5 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -62.71 -21.37 65.73 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.451 ' HB ' ' HG2' ' A' ' 11' ' ' PRO . 1.4 mt -99.85 -45.74 11.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.194 179.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.489 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -51.29 -52.25 46.76 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.046 179.153 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 3.7 p30 -58.83 -43.39 90.66 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.775 0.321 . . . . 0.0 110.586 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.0 -48.16 74.96 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.37 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.5 mt -57.05 -50.19 73.5 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.336 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.528 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -58.82 -41.24 86.38 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.66 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -69.93 -48.47 58.34 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.54 179.581 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 16.9 mm -54.67 -57.54 6.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.42 -36.73 66.79 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.325 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 3.9 mmtt -63.12 -47.47 82.66 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.651 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.561 ' HA ' HD12 ' A' ' 27' ' ' LEU . . . -81.87 -34.99 29.77 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -65.69 -41.22 92.65 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.199 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -64.93 -39.21 93.16 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.538 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 24' ' ' ALA . 30.1 mt -51.92 -57.37 9.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.334 0.588 . . . . 0.0 111.951 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 mtm105 -74.5 -30.85 61.98 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.962 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.59 -44.04 83.27 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.733 0.301 . . . . 0.0 110.592 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 27' ' ' LEU . 2.2 pt20 -80.14 -24.54 40.37 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.941 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.23 -52.22 7.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.521 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.74 90.72 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.007 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -55.62 28.27 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.191 0.52 . . . . 0.0 112.158 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.573 ' HA ' ' HB2' ' A' ' 38' ' ' MET . 0.3 OUTLIER -63.15 -43.47 98.22 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.934 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.07 40.08 0.93 Allowed 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -164.32 -57.4 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.643 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 pp -94.2 -36.08 12.19 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.04 0.448 . . . . 0.0 111.385 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.573 ' HB2' ' HA ' ' A' ' 34' ' ' ASN . 8.6 ttm -82.87 -14.74 53.69 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.543 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.39 23.45 8.43 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.485 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.429 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 8.6 tt0 -82.51 -48.23 11.27 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.021 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 40' ' ' GLN . 3.3 mt . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.665 -0.684 . . . . 0.0 111.416 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 111.275 0.102 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.4 p 48.04 52.75 12.64 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.922 0.392 . . . . 0.0 111.875 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.42 64.13 0.82 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.205 0.526 . . . . 0.0 111.184 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.0 t -149.46 54.68 0.96 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.283 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mt -134.93 40.35 2.92 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.302 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t0 51.33 90.8 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.433 0.635 . . . . 0.0 112.154 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 10' ' ' VAL . 13.5 p -119.16 68.69 9.65 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-O 121.485 0.659 . . . . 0.0 111.408 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.541 ' HD2' HD12 ' A' ' 14' ' ' ILE . 30.2 Cg_endo -62.68 155.75 57.15 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.87 2.38 . . . . 0.0 113.177 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -43.38 55.65 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.227 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -54.95 -49.24 71.84 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.627 0.727 . . . . 0.0 110.779 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.541 HD12 ' HD2' ' A' ' 11' ' ' PRO . 2.1 mt -61.78 -49.02 85.98 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.121 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -48.21 77.25 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.092 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -56.85 -48.91 77.01 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.015 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.54 -50.51 72.37 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.16 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.4 tp -54.91 -47.8 73.9 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.078 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.3 t80 -52.59 -45.88 66.7 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.384 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -45.22 67.44 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.316 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.542 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 19.1 mm -54.81 -56.85 8.57 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.08 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.84 -37.3 68.54 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 110.198 178.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -64.1 -44.93 90.82 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.216 179.317 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.28 -37.93 27.67 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.636 0.255 . . . . 0.0 111.53 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -61.57 -44.2 97.45 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.122 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -67.84 -42.86 80.77 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.455 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 30.4 mt -55.07 -57.33 12.14 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.299 0.571 . . . . 0.0 111.331 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -41.53 99.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.74 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.28 94.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.952 0.405 . . . . 0.0 109.911 179.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -73.3 -36.32 66.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.714 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.23 -51.01 16.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.834 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.47 -49.62 76.07 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.655 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.81 -48.14 82.87 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.232 0.539 . . . . 0.0 112.048 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -61.58 -43.61 98.55 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.245 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -103.02 48.7 0.85 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -162.02 -68.65 0.05 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 mt -99.99 -16.39 17.95 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -17.34 59.17 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.53 36.57 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.0 0.428 . . . . 0.0 111.17 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -55.3 6.59 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.586 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.014 -0.993 . . . . 0.0 111.36 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 120.533 0.206 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.4 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 14.8 t -173.36 133.04 0.49 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.094 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER 33.04 71.2 0.09 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.0 t -177.94 68.04 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.401 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 mt -142.02 39.47 1.63 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.937 0.399 . . . . 0.0 112.046 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER -75.47 55.59 0.82 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.982 0.42 . . . . 0.0 110.892 179.276 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.595 HG13 HG22 ' A' ' 14' ' ' ILE . 95.5 t 15.61 67.17 0.18 Allowed Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 124.17 0.988 . . . . 0.0 113.183 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 14' ' ' ILE . 69.3 Cg_endo -72.09 169.06 22.35 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.679 2.253 . . . . 0.0 111.929 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -45.57 -42.65 11.31 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.751 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -63.51 -25.01 68.06 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.07 0.462 . . . . 0.0 111.997 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.595 HG22 HG13 ' A' ' 10' ' ' VAL . 3.2 mt -101.09 -46.57 11.56 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.134 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.497 ' CG ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -52.92 -49.16 66.53 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.472 178.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 12' ' ' THR . 5.6 t-20 -54.95 -47.33 74.64 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.952 0.406 . . . . 0.0 110.157 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.11 -50.83 62.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.198 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -49.49 72.53 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.309 178.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' HB2' ' O ' ' A' ' 15' ' ' MET . 0.6 OUTLIER -58.17 -40.85 82.49 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 179.02 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.62 -46.04 56.08 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.549 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 17.1 mm -53.98 -61.5 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.88 -36.77 59.68 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.049 0.452 . . . . 0.0 109.972 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 2.1 mtpt -58.94 -58.49 8.41 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.131 179.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.84 -36.1 67.39 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -64.03 -43.1 96.61 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.829 -0.169 . . . . 0.0 111.192 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -69.22 -42.3 75.9 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.745 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 66.4 mt -58.25 -55.69 31.66 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.35 0.595 . . . . 0.0 110.512 178.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -39.47 88.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.221 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.601 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -67.93 -44.32 77.11 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.902 0.382 . . . . 0.0 110.182 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.466 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 9.7 mm100 -74.22 -24.14 59.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.925 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.573 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -89.26 -50.77 5.93 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.981 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.08 -22.63 45.01 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -113.71 -16.77 12.25 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -178.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -115.75 -58.68 2.09 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.573 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -71.68 -16.84 62.26 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.577 ' NE2' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -54.86 -29.46 55.45 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.577 HD23 ' NE2' ' A' ' 36' ' ' HIS . 2.1 pp -99.95 7.94 44.44 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.26 -5.03 23.51 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.85 52.06 0.5 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 111.336 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.33 -68.56 0.61 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.224 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.832 -0.604 . . . . 0.0 111.879 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.9 p90 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 120.451 0.167 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.7 p -109.23 -149.0 0.43 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.356 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.643 HD22 ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -62.19 151.18 36.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.02 0.438 . . . . 0.0 111.358 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.5 t -168.27 53.01 0.05 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.317 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.0 mt -133.43 49.57 2.28 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.71 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -149.36 88.19 1.56 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.296 0.569 . . . . 0.0 110.92 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.495 HG13 HG22 ' A' ' 14' ' ' ILE . 66.8 t -117.15 73.14 6.79 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.769 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.401 ' CG ' HD12 ' A' ' 14' ' ' ILE . 46.7 Cg_endo -67.55 163.61 34.24 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.739 2.292 . . . . 0.0 112.54 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -45.32 -45.02 12.06 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.512 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -56.97 -53.63 55.86 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.74 0.781 . . . . 0.0 110.692 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.495 HG22 HG13 ' A' ' 10' ' ' VAL . 2.8 mt -66.18 -44.09 91.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 114.244 -1.344 . . . . 0.0 110.361 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -49.63 68.13 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.669 0.271 . . . . 0.0 110.399 178.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.35 -51.24 70.64 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 18' ' ' LEU . 3.0 pp -67.35 -43.86 80.44 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.034 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 17' ' ' LEU . 15.1 tp -55.85 -45.54 78.43 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -48.87 -48.97 41.62 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.827 178.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.64 -44.59 56.53 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.948 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.547 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 10.9 mm -48.92 -56.7 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.05 -38.36 73.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.013 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -62.81 -46.66 86.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.009 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.81 -37.84 39.73 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.688 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -61.68 -44.31 97.19 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.289 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -64.97 -41.25 95.62 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.622 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.449 ' HA ' ' HG2' ' A' ' 30' ' ' GLN . 81.9 mt -59.05 -56.06 27.08 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.501 0.667 . . . . 0.0 110.747 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -58.63 -40.25 82.81 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.154 179.326 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.727 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -70.63 -44.87 66.3 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.024 0.44 . . . . 0.0 110.706 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.629 ' HA ' ' HB3' ' A' ' 34' ' ' ASN . 7.5 pt20 -73.15 -16.61 61.44 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.535 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -101.77 -50.51 3.67 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.849 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 28' ' ' ARG . . . -78.87 -18.22 54.31 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -114.12 -45.29 3.07 Favored 'General case' 0 C--N 1.342 0.25 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.629 ' HB3' ' HA ' ' A' ' 30' ' ' GLN . 1.1 t30 -80.76 -49.96 10.48 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.659 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.535 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . . . -86.3 36.93 0.71 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.752 0.31 . . . . 0.0 111.586 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.45 ' CE1' ' HA ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -152.45 -60.43 0.15 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.901 179.414 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.1 mt -58.32 -26.66 63.32 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.889 0.376 . . . . 0.0 111.305 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.578 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 4.5 ttm -82.0 -0.32 43.66 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.717 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 38' ' ' MET . . . 85.85 57.92 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 122.96 0.504 . . . . 0.0 111.826 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.522 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -114.59 -64.33 1.33 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.591 179.357 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.522 ' HB ' ' O ' ' A' ' 40' ' ' GLN . 3.9 mp . . . . . 0 C--O 1.253 1.249 0 CA-C-O 117.845 -1.074 . . . . 0.0 112.024 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.4 p90 . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 120.307 0.098 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p 45.66 46.15 11.27 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.938 0.399 . . . . 0.0 111.671 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.9 mt -84.15 60.92 6.2 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.967 0.413 . . . . 0.0 111.217 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.19 39.95 28.44 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.646 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mt -134.51 38.02 3.1 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.098 0.475 . . . . 0.0 111.187 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -95.44 61.5 2.34 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.035 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' VAL . 13.6 p 41.02 57.49 8.56 Favored Pre-proline 0 N--CA 1.473 0.687 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.702 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.568 ' HD2' HD12 ' A' ' 14' ' ' ILE . 72.1 Cg_endo -74.7 165.6 31.18 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.601 2.201 . . . . 0.0 112.761 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -37.55 52.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.63 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -72.39 -6.27 42.26 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.568 HD12 ' HD2' ' A' ' 11' ' ' PRO . 3.6 mt -112.47 -45.54 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -47.43 65.89 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.367 178.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 17' ' ' LEU . 39.3 p-10 -59.92 -46.73 88.42 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.206 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 54.3 mt -59.93 -51.35 70.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.092 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.9 mt -54.5 -51.13 66.07 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.268 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 1.7 t80 -56.41 -42.33 77.81 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.148 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -68.92 -47.4 65.85 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.25 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.501 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 13.3 mm -53.21 -57.31 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.66 -36.85 65.03 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.017 0.437 . . . . 0.0 110.155 177.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -63.61 -43.98 95.3 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.67 179.47 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . . . -84.08 -37.58 21.88 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.141 0.275 . . . . 0.0 111.123 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -57.77 -44.42 86.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.276 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -76.05 -41.0 52.09 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.93 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -61.72 -16.67 51.19 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.804 178.726 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -107.09 -46.46 3.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.643 0.259 . . . . 0.0 110.711 178.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.742 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -75.16 -26.23 58.93 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.559 ' O ' ' HB3' ' A' ' 34' ' ' ASN . 1.2 tp60 -112.51 -23.74 10.1 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.93 ' HB3' ' O ' ' A' ' 27' ' ' LEU . . . -96.83 -29.11 13.92 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.444 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 28' ' ' ARG . . . -106.44 -26.5 11.42 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -95.57 -6.68 39.8 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -179.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.559 ' HB3' ' O ' ' A' ' 30' ' ' GLN . 2.0 p30 -74.93 -39.6 61.29 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 122.167 -0.333 . . . . 0.0 111.645 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.79 -16.76 49.89 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -49.22 -40.97 35.73 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mt -100.59 9.25 42.77 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.76 -31.86 6.82 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.808 0.337 . . . . 0.0 111.848 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.03 21.25 6.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.932 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 2.2 tt0 -88.93 -59.34 2.25 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.825 -0.171 . . . . 0.0 111.162 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' A' ' 40' ' ' GLN . 2.9 mt . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.06 -0.971 . . . . 0.0 111.759 -179.915 . . . . . . . . 1 1 . 1 stop_ save_